5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide

C23H21N7O2 — CID 155481972

IUPAC5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c1
InChIInChI=1S/C23H21N7O2/c1-14-8-15(10-24)11-25-21(14)23(31)27-17-2-3-20-19(9-17)22(29-28-20)16-12-26-30(13-16)18-4-6-32-7-5-18/h2-3,8-9,11-13,18H,4-7H2,1H3,(H,27,31)(H,28,29)
InChIKeyCYZXEICRPPRJLV-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.61
Rot. Bonds4

About 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155481972) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID155481972
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c1
InChIInChI=1S/C23H21N7O2/c1-14-8-15(10-24)11-25-21(14)23(31)27-17-2-3-20-19(9-17)22(29-28-20)16-12-26-30(13-16)18-4-6-32-7-5-18/h2-3,8-9,11-13,18H,4-7H2,1H3,(H,27,31)(H,28,29)
InChIKeyCYZXEICRPPRJLV-UHFFFAOYSA-N
XLogP3.61
TPSA121.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482063
5-cyano-3-methyl-N-[3-(5-methylfuran-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482541
5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482398
5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
5-cyano-3-methyl-N-[3-(5-methyl-1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482456
5-cyano-3-methyl-N-[3-(6-methyl-2-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482546
5-cyano-N-[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482313
3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482100
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-4-methylpyridazine-3-carboxamide
CID 155482407
5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436751
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482133

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide (CID 155481972) is 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide is Cc1cc(C#N)cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c1.
What is the InChIKey of 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is CYZXEICRPPRJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-8-15(10-24)11-25-21(14)23(31)27-17-2-3-20-19(9-17)22(29-28-20)16-12-26-30(13-16)18-4-6-32-7-5-18/h2-3,8-9,11-13,18H,4-7H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide?
5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155481972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).