N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

C96H92N22O5 — CID 158572222

IUPACN-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1
InChIInChI=1S/C27H29N5O2.C25H26N6O.C25H22N6O.C19H15N5O/c1-2-34-23-9-7-22(8-10-23)29-27(33)26-24-15-20(6-11-25(24)30-31-26)21-14-19(16-28-17-21)18-32-12-4-3-5-13-32;1-17-7-8-26-15-23(17)28-25(32)24-21-12-19(5-6-22(21)29-30-24)20-11-18(13-27-14-20)16-31-9-3-2-4-10-31;26-13-17-3-6-21(7-4-17)28-25(32)24-22-12-19(5-8-23(22)29-30-24)20-11-18(14-27-15-20)16-31-9-1-2-10-31;1-12-6-8-21-11-17(12)22-19(25)18-15-9-13(4-5-16(15)23-24-18)14-3-2-7-20-10-14/h6-11,14-17H,2-5,12-13,18H2,1H3,(H,29,33)(H,30,31);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);3-8,11-12,14-15H,1-2,9-10,16H2,(H,28,32)(H,29,30);2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyHSFKCSXRVYTTLQ-UHFFFAOYSA-N
MW1633.94 g/mol
LogP17.75
Rot. Bonds20

About N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 158572222) has the molecular formula C96H92N22O5 and a molecular weight of 1633.94 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID158572222
Molecular FormulaC96H92N22O5
Molecular Weight1633.94 g/mol
Exact Mass1632.76
IUPAC NameN-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1
InChIInChI=1S/C27H29N5O2.C25H26N6O.C25H22N6O.C19H15N5O/c1-2-34-23-9-7-22(8-10-23)29-27(33)26-24-15-20(6-11-25(24)30-31-26)21-14-19(16-28-17-21)18-32-12-4-3-5-13-32;1-17-7-8-26-15-23(17)28-25(32)24-21-12-19(5-6-22(21)29-30-24)20-11-18(13-27-14-20)16-31-9-3-2-4-10-31;26-13-17-3-6-21(7-4-17)28-25(32)24-22-12-19(5-8-23(22)29-30-24)20-11-18(14-27-15-20)16-31-9-1-2-10-31;1-12-6-8-21-11-17(12)22-19(25)18-15-9-13(4-5-16(15)23-24-18)14-3-2-7-20-10-14/h6-11,14-17H,2-5,12-13,18H2,1H3,(H,29,33)(H,30,31);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);3-8,11-12,14-15H,1-2,9-10,16H2,(H,28,32)(H,29,30);2-11H,1H3,(H,22,25)(H,23,24)
InChIKeyHSFKCSXRVYTTLQ-UHFFFAOYSA-N
XLogP17.75
TPSA351.20 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001633.94
LogP ≤ 517.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 158572222) is N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is CCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is HSFKCSXRVYTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.C25H26N6O.C25H22N6O.C19H15N5O/c1-2-34-23-9-7-22(8-10-23)29-27(33)26-24-15-20(6-11-25(24)30-31-26)21-14-19(16-28-17-21)18-32-12-4-3-5-13-32;1-17-7-8-26-15-23(17)28-25(32)24-21-12-19(5-6-22(21)29-30-24)20-11-18(13-27-14-20)16-31-9-3-2-4-10-31;26-13-17-3-6-21(7-4-17)28-25(32)24-22-12-19(5-8-23(22)29-30-24)20-11-18(14-27-15-20)16-31-9-1-2-10-31;1-12-6-8-21-11-17(12)22-19(25)18-15-9-13(4-5-16(15)23-24-18)14-3-2-7-20-10-14/h6-11,14-17H,2-5,12-13,18H2,1H3,(H,29,33)(H,30,31);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);3-8,11-12,14-15H,1-2,9-10,16H2,(H,28,32)(H,29,30);2-11H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 1633.94 g/mol, XLogP of 17.75, 20 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 158572222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).