N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide

C108H107N21O6 — CID 159628179

IUPACN-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cccc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C32H31N5O.C27H27N5O3.C25H25N5O.C24H24N6O/c38-32(34-28-11-7-10-24(18-28)16-23-8-3-1-4-9-23)31-29-19-26(12-13-30(29)35-36-31)27-17-25(20-33-21-27)22-37-14-5-2-6-15-37;33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32;31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;31-24(27-22-6-2-3-9-26-22)23-20-13-18(7-8-21(20)28-29-23)19-12-17(14-25-15-19)16-30-10-4-1-5-11-30/h1,3-4,7-13,17-21H,2,5-6,14-16,22H2,(H,34,38)(H,35,36);4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31);1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);2-3,6-9,12-15H,1,4-5,10-11,16H2,(H,28,29)(H,26,27,31)
InChIKeyMOTSGUGHGFTPML-UHFFFAOYSA-N
MW1795.18 g/mol
LogP20.21
Rot. Bonds22

About N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide

N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide (PubChem CID 159628179) has the molecular formula C108H107N21O6 and a molecular weight of 1795.18 g/mol. Its IUPAC name is N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide
PubChem CID159628179
Molecular FormulaC108H107N21O6
Molecular Weight1795.18 g/mol
Exact Mass1793.87
IUPAC NameN-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cccc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C32H31N5O.C27H27N5O3.C25H25N5O.C24H24N6O/c38-32(34-28-11-7-10-24(18-28)16-23-8-3-1-4-9-23)31-29-19-26(12-13-30(29)35-36-31)27-17-25(20-33-21-27)22-37-14-5-2-6-15-37;33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32;31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;31-24(27-22-6-2-3-9-26-22)23-20-13-18(7-8-21(20)28-29-23)19-12-17(14-25-15-19)16-30-10-4-1-5-11-30/h1,3-4,7-13,17-21H,2,5-6,14-16,22H2,(H,34,38)(H,35,36);4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31);1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);2-3,6-9,12-15H,1,4-5,10-11,16H2,(H,28,29)(H,26,27,31)
InChIKeyMOTSGUGHGFTPML-UHFFFAOYSA-N
XLogP20.21
TPSA326.99 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001795.18
LogP ≤ 520.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide (CID 159628179) is N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cccc(Cc2ccccc2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide?
The InChIKey is MOTSGUGHGFTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O.C27H27N5O3.C25H25N5O.C24H24N6O/c38-32(34-28-11-7-10-24(18-28)16-23-8-3-1-4-9-23)31-29-19-26(12-13-30(29)35-36-31)27-17-25(20-33-21-27)22-37-14-5-2-6-15-37;33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32;31-25(27-21-7-3-1-4-8-21)24-22-14-19(9-10-23(22)28-29-24)20-13-18(15-26-16-20)17-30-11-5-2-6-12-30;31-24(27-22-6-2-3-9-26-22)23-20-13-18(7-8-21(20)28-29-23)19-12-17(14-25-15-19)16-30-10-4-1-5-11-30/h1,3-4,7-13,17-21H,2,5-6,14-16,22H2,(H,34,38)(H,35,36);4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31);1,3-4,7-10,13-16H,2,5-6,11-12,17H2,(H,27,31)(H,28,29);2-3,6-9,12-15H,1,4-5,10-11,16H2,(H,28,29)(H,26,27,31).
What are the key properties of N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide?
N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide has a molecular weight of 1795.18 g/mol, XLogP of 20.21, 22 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-phenyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 159628179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).