N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C25H19N5O — CID 123214472

IUPACN-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCc1cccc(-c2cncc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)c2)c1
InChIInChI=1S/C25H19N5O/c1-16-4-2-5-17(10-16)20-11-21(15-27-14-20)28-25(31)24-22-12-18(7-8-23(22)29-30-24)19-6-3-9-26-13-19/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyPYVDEPKPCMWTSR-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.25
Rot. Bonds4

About N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 123214472) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID123214472
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCc1cccc(-c2cncc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)c2)c1
InChIInChI=1S/C25H19N5O/c1-16-4-2-5-17(10-16)20-11-21(15-27-14-20)28-25(31)24-22-12-18(7-8-23(22)29-30-24)19-6-3-9-26-13-19/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyPYVDEPKPCMWTSR-UHFFFAOYSA-N
XLogP5.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
5-(3-fluoro-2-methylphenyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123828184
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-(5-amino-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382058
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89444854
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458576
5-(5-phenoxy-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381665

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 123214472) is N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is Cc1cccc(-c2cncc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)c2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is PYVDEPKPCMWTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-16-4-2-5-17(10-16)20-11-21(15-27-14-20)28-25(31)24-22-12-18(7-8-23(22)29-30-24)19-6-3-9-26-13-19/h2-15H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 123214472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).