1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide

C18H19N5O — CID 118946568

IUPAC1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc3cn[nH]c3cn2)CCCCC1c1cccnc1
InChIInChI=1S/C18H19N5O/c19-17(24)18(16-8-13-10-22-23-15(13)11-21-16)6-2-1-5-14(18)12-4-3-7-20-9-12/h3-4,7-11,14H,1-2,5-6H2,(H2,19,24)(H,22,23)
InChIKeyDIDOHNIATGMCGG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.43
Rot. Bonds3

About 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide

1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 118946568) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID118946568
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cc3cn[nH]c3cn2)CCCCC1c1cccnc1
InChIInChI=1S/C18H19N5O/c19-17(24)18(16-8-13-10-22-23-15(13)11-21-16)6-2-1-5-14(18)12-4-3-7-20-9-12/h3-4,7-11,14H,1-2,5-6H2,(H2,19,24)(H,22,23)
InChIKeyDIDOHNIATGMCGG-UHFFFAOYSA-N
XLogP2.43
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide (CID 118946568) is 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide is NC(=O)C1(c2cc3cn[nH]c3cn2)CCCCC1c1cccnc1.
What is the InChIKey of 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is DIDOHNIATGMCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-17(24)18(16-8-13-10-22-23-15(13)11-21-16)6-2-1-5-14(18)12-4-3-7-20-9-12/h3-4,7-11,14H,1-2,5-6H2,(H2,19,24)(H,22,23).
What are the key properties of 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide?
1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazolo[3,4-c]pyridin-5-yl)-2-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118946568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).