4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine

C21H32N8 — CID 123133049

IUPAC4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(NC3CCC(N)CC3)n2)cn1
InChIInChI=1S/C21H32N8/c1-29-12-13(10-24-29)18-9-16-19(11-23-18)27-28-21(16)17-3-2-4-20(26-17)25-15-7-5-14(22)6-8-15/h2-4,10,12,14-16,18-19,21,23,27-28H,5-9,11,22H2,1H3,(H,25,26)
InChIKeyZOHSACBKSPGTAN-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.37
Rot. Bonds4

About 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 123133049) has the molecular formula C21H32N8 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID123133049
Molecular FormulaC21H32N8
Molecular Weight396.54 g/mol
Exact Mass396.27
IUPAC Name4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(NC3CCC(N)CC3)n2)cn1
InChIInChI=1S/C21H32N8/c1-29-12-13(10-24-29)18-9-16-19(11-23-18)27-28-21(16)17-3-2-4-20(26-17)25-15-7-5-14(22)6-8-15/h2-4,10,12,14-16,18-19,21,23,27-28H,5-9,11,22H2,1H3,(H,25,26)
InChIKeyZOHSACBKSPGTAN-UHFFFAOYSA-N
XLogP1.37
TPSA104.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[3-ethenyl-6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 123133164
(3R)-3-methyl-1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-ol
CID 123133171
(3S)-1-[3-methyl-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 123133106
(3R)-1-[3-bromo-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 123133080
1-methyl-4-[3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-2-one
CID 78054493
4-fluoro-1-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-ol
CID 123133178
N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine
CID 123132992
2,2-dimethyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 138961921
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846768
5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 138961900
3-[6-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134822714

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 123133049) is 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine is Cn1cc(C2CC3C(CN2)NNC3c2cccc(NC3CCC(N)CC3)n2)cn1.
What is the InChIKey of 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is ZOHSACBKSPGTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N8/c1-29-12-13(10-24-29)18-9-16-19(11-23-18)27-28-21(16)17-3-2-4-20(26-17)25-15-7-5-14(22)6-8-15/h2-4,10,12,14-16,18-19,21,23,27-28H,5-9,11,22H2,1H3,(H,25,26).
What are the key properties of 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 396.54 g/mol, XLogP of 1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 123133049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).