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

C21H24N8 — CID 71253812

IUPAC4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCn1cc(-c2cc3c(-c4cccc(NC5CCC(N)CC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H24N8/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/h2-4,9-12,14-15H,5-8,22H2,1H3,(H,25,26)(H,27,28)
InChIKeyIPOYATYDYGQZPO-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.10
Rot. Bonds4

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

4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 71253812) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-N-[6-[5-(1-methylpyrazol-4-yl)-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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID71253812
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCn1cc(-c2cc3c(-c4cccc(NC5CCC(N)CC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C21H24N8/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/h2-4,9-12,14-15H,5-8,22H2,1H3,(H,25,26)(H,27,28)
InChIKeyIPOYATYDYGQZPO-UHFFFAOYSA-N
XLogP3.10
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[5-(1-methylpyrazol-4-yl)-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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 71253812) is 4-N-[6-[5-(1-methylpyrazol-4-yl)-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)-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)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine is Cn1cc(-c2cc3c(-c4cccc(NC5CCC(N)CC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is IPOYATYDYGQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/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/h2-4,9-12,14-15H,5-8,22H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 388.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71253812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).