5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide

C34H24ClN11O2 — CID 87682241

IUPAC5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc(-c3ccc(Cl)nc3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C18H12ClN5O.C16H12N6O/c19-16-4-2-12(10-21-16)11-1-3-15-14(9-11)17(24-23-15)18(25)22-13-5-7-20-8-6-13;23-16(20-12-3-5-17-6-4-12)15-13-7-10(11-8-18-19-9-11)1-2-14(13)21-22-15/h1-10H,(H,23,24)(H,20,22,25);1-9H,(H,18,19)(H,21,22)(H,17,20,23)
InChIKeyBWMDSQSDPQLPLT-UHFFFAOYSA-N
MW654.09 g/mol
LogP6.53
Rot. Bonds6

About 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide

5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide (PubChem CID 87682241) has the molecular formula C34H24ClN11O2 and a molecular weight of 654.09 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
PubChem CID87682241
Molecular FormulaC34H24ClN11O2
Molecular Weight654.09 g/mol
Exact Mass653.18
IUPAC Name5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc(-c3ccc(Cl)nc3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C18H12ClN5O.C16H12N6O/c19-16-4-2-12(10-21-16)11-1-3-15-14(9-11)17(24-23-15)18(25)22-13-5-7-20-8-6-13;23-16(20-12-3-5-17-6-4-12)15-13-7-10(11-8-18-19-9-11)1-2-14(13)21-22-15/h1-10H,(H,23,24)(H,20,22,25);1-9H,(H,18,19)(H,21,22)(H,17,20,23)
InChIKeyBWMDSQSDPQLPLT-UHFFFAOYSA-N
XLogP6.53
TPSA182.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.09
LogP ≤ 56.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide (CID 87682241) is 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide is O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3ccc(Cl)nc3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is BWMDSQSDPQLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O.C16H12N6O/c19-16-4-2-12(10-21-16)11-1-3-15-14(9-11)17(24-23-15)18(25)22-13-5-7-20-8-6-13;23-16(20-12-3-5-17-6-4-12)15-13-7-10(11-8-18-19-9-11)1-2-14(13)21-22-15/h1-10H,(H,23,24)(H,20,22,25);1-9H,(H,18,19)(H,21,22)(H,17,20,23).
What are the key properties of 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide?
5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 654.09 g/mol, XLogP of 6.53, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 87682241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).