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

C23H29N7O2 — CID 165436751

IUPAC5-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
SMILESCc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cnn(C4CCOCC4)c3)C2C1
InChIInChI=1S/C23H29N7O2/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/h8,11-13,17-20,22,28-29H,2-7,9H2,1H3,(H,27,31)
InChIKeyDBGDMOREINEUAK-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.93
Rot. Bonds4

About 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

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 (PubChem CID 165436751) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165436751
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name5-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
SMILESCc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cnn(C4CCOCC4)c3)C2C1
InChIInChI=1S/C23H29N7O2/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/h8,11-13,17-20,22,28-29H,2-7,9H2,1H3,(H,27,31)
InChIKeyDBGDMOREINEUAK-UHFFFAOYSA-N
XLogP1.93
TPSA116.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cnn(C4CCOCC4)c3)C2C1.
What is the InChIKey of 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?
The InChIKey is DBGDMOREINEUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/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/h8,11-13,17-20,22,28-29H,2-7,9H2,1H3,(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 435.53 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 8 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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165436751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).