5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide

C137H128F2N28O13 — CID 159199078

IUPAC5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C29H30N6O3.C29H23N5O3.C28H28N6O3.C27H26N6O2.C24H21F2N5O2/c36-22-9-11-35(12-10-22)17-18-13-21(16-30-15-18)20-7-8-24-23(14-20)27(34-33-24)29(38)32-26-4-2-1-3-25(26)31-28(37)19-5-6-19;35-28(18-10-11-18)31-25-8-4-5-9-26(25)32-29(36)27-23-15-19(12-13-24(23)33-34-27)20-14-22(17-30-16-20)37-21-6-2-1-3-7-21;35-27(19-5-6-19)30-24-3-1-2-4-25(24)31-28(36)26-22-14-20(7-8-23(22)32-33-26)21-13-18(15-29-16-21)17-34-9-11-37-12-10-34;34-26(18-6-7-18)29-23-4-1-2-5-24(23)30-27(35)25-21-13-19(8-9-22(21)31-32-25)20-12-17(14-28-15-20)16-33-10-3-11-33;25-24(26)7-8-31(14-24)13-15-9-17(12-27-11-15)16-1-6-21-20(10-16)22(30-29-21)23(33)28-18-2-4-19(32)5-3-18/h1-4,7-8,13-16,19,22,36H,5-6,9-12,17H2,(H,31,37)(H,32,38)(H,33,34);1-9,12-18H,10-11H2,(H,31,35)(H,32,36)(H,33,34);1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,30,35)(H,31,36)(H,32,33);1-2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,(H,29,34)(H,30,35)(H,31,32);1-6,9-12,32H,7-8,13-14H2,(H,28,33)(H,29,30)
InChIKeyKPAUMCAQHBZWKM-UHFFFAOYSA-N
MW2412.71 g/mol
LogP23.11
Rot. Bonds33

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 159199078) has the molecular formula C137H128F2N28O13 and a molecular weight of 2412.71 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
PubChem CID159199078
Molecular FormulaC137H128F2N28O13
Molecular Weight2412.71 g/mol
Exact Mass2411.02
IUPAC Name5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C29H30N6O3.C29H23N5O3.C28H28N6O3.C27H26N6O2.C24H21F2N5O2/c36-22-9-11-35(12-10-22)17-18-13-21(16-30-15-18)20-7-8-24-23(14-20)27(34-33-24)29(38)32-26-4-2-1-3-25(26)31-28(37)19-5-6-19;35-28(18-10-11-18)31-25-8-4-5-9-26(25)32-29(36)27-23-15-19(12-13-24(23)33-34-27)20-14-22(17-30-16-20)37-21-6-2-1-3-7-21;35-27(19-5-6-19)30-24-3-1-2-4-25(24)31-28(36)26-22-14-20(7-8-23(22)32-33-26)21-13-18(15-29-16-21)17-34-9-11-37-12-10-34;34-26(18-6-7-18)29-23-4-1-2-5-24(23)30-27(35)25-21-13-19(8-9-22(21)31-32-25)20-12-17(14-28-15-20)16-33-10-3-11-33;25-24(26)7-8-31(14-24)13-15-9-17(12-27-11-15)16-1-6-21-20(10-16)22(30-29-21)23(33)28-18-2-4-19(32)5-3-18/h1-4,7-8,13-16,19,22,36H,5-6,9-12,17H2,(H,31,37)(H,32,38)(H,33,34);1-9,12-18H,10-11H2,(H,31,35)(H,32,36)(H,33,34);1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,30,35)(H,31,36)(H,32,33);1-2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,(H,29,34)(H,30,35)(H,31,32);1-6,9-12,32H,7-8,13-14H2,(H,28,33)(H,29,30)
InChIKeyKPAUMCAQHBZWKM-UHFFFAOYSA-N
XLogP23.11
TPSA541.63 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002412.71
LogP ≤ 523.11
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide (CID 159199078) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The InChIKey is KPAUMCAQHBZWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O3.C29H23N5O3.C28H28N6O3.C27H26N6O2.C24H21F2N5O2/c36-22-9-11-35(12-10-22)17-18-13-21(16-30-15-18)20-7-8-24-23(14-20)27(34-33-24)29(38)32-26-4-2-1-3-25(26)31-28(37)19-5-6-19;35-28(18-10-11-18)31-25-8-4-5-9-26(25)32-29(36)27-23-15-19(12-13-24(23)33-34-27)20-14-22(17-30-16-20)37-21-6-2-1-3-7-21;35-27(19-5-6-19)30-24-3-1-2-4-25(24)31-28(36)26-22-14-20(7-8-23(22)32-33-26)21-13-18(15-29-16-21)17-34-9-11-37-12-10-34;34-26(18-6-7-18)29-23-4-1-2-5-24(23)30-27(35)25-21-13-19(8-9-22(21)31-32-25)20-12-17(14-28-15-20)16-33-10-3-11-33;25-24(26)7-8-31(14-24)13-15-9-17(12-27-11-15)16-1-6-21-20(10-16)22(30-29-21)23(33)28-18-2-4-19(32)5-3-18/h1-4,7-8,13-16,19,22,36H,5-6,9-12,17H2,(H,31,37)(H,32,38)(H,33,34);1-9,12-18H,10-11H2,(H,31,35)(H,32,36)(H,33,34);1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,30,35)(H,31,36)(H,32,33);1-2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,(H,29,34)(H,30,35)(H,31,32);1-6,9-12,32H,7-8,13-14H2,(H,28,33)(H,29,30).
What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide has a molecular weight of 2412.71 g/mol, XLogP of 23.11, 33 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 159199078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).