N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane

C52H56N14O3 — CID 160709512

IUPACN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane
SMILESC.C.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H25N7O2.C25H23N7O.2CH4/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32;26-12-20-5-6-21(15-28-20)29-25(33)24-22-11-18(4-7-23(22)30-31-24)19-10-17(13-27-14-19)16-32-8-2-1-3-9-32;;/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31);4-7,10-11,13-15H,1-3,8-9,16H2,(H,29,33)(H,30,31);2*1H4
InChIKeyRRQYCGYVKHXBML-UHFFFAOYSA-N
MW925.12 g/mol
LogP8.76
Rot. Bonds11

About N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane

N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane (PubChem CID 160709512) has the molecular formula C52H56N14O3 and a molecular weight of 925.12 g/mol. Its IUPAC name is N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane.

Molecular Properties

Compound NameN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane
PubChem CID160709512
Molecular FormulaC52H56N14O3
Molecular Weight925.12 g/mol
Exact Mass924.47
IUPAC NameN-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane
SMILESC.C.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
InChIInChI=1S/C25H25N7O2.C25H23N7O.2CH4/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32;26-12-20-5-6-21(15-28-20)29-25(33)24-22-11-18(4-7-23(22)30-31-24)19-10-17(13-27-14-19)16-32-8-2-1-3-9-32;;/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31);4-7,10-11,13-15H,1-3,8-9,16H2,(H,29,33)(H,30,31);2*1H4
InChIKeyRRQYCGYVKHXBML-UHFFFAOYSA-N
XLogP8.76
TPSA240.48 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.12
LogP ≤ 58.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane with MolForge

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Launch Full Analysis

Related Compounds

6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460572
N-[6-(pentan-3-ylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450784
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381994
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382129
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450996
N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451187
N-[6-[methyl(propyl)amino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555111
N-[6-(3-fluorophenyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89442411

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane?
The IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane (CID 160709512) is N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane.
What is the SMILES notation for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane?
The canonical SMILES for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane is C.C.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.NC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.
What is the InChIKey of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane?
The InChIKey is RRQYCGYVKHXBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C25H23N7O.2CH4/c26-24(33)22-7-5-19(14-28-22)29-25(34)23-20-11-17(4-6-21(20)30-31-23)18-10-16(12-27-13-18)15-32-8-2-1-3-9-32;26-12-20-5-6-21(15-28-20)29-25(33)24-22-11-18(4-7-23(22)30-31-24)19-10-17(13-27-14-19)16-32-8-2-1-3-9-32;;/h4-7,10-14H,1-3,8-9,15H2,(H2,26,33)(H,29,34)(H,30,31);4-7,10-11,13-15H,1-3,8-9,16H2,(H,29,33)(H,30,31);2*1H4.
What are the key properties of N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane?
N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane has a molecular weight of 925.12 g/mol, XLogP of 8.76, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;methane is sourced from PubChem (CID 160709512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).