3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

C20H30N6O — CID 46912928

IUPAC3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)CC1
InChIInChI=1S/C20H30N6O/c1-25-11-13-26(14-12-25)18(27)8-7-16-19-17(24-23-16)9-10-21-20(19)22-15-5-3-2-4-6-15/h9-10,15H,2-8,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyKHVFRTCYQYFKHM-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.41
Rot. Bonds5

About 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 46912928) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID46912928
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)CC1
InChIInChI=1S/C20H30N6O/c1-25-11-13-26(14-12-25)18(27)8-7-16-19-17(24-23-16)9-10-21-20(19)22-15-5-3-2-4-6-15/h9-10,15H,2-8,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyKHVFRTCYQYFKHM-UHFFFAOYSA-N
XLogP2.41
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk 343
CID 71268957
Unc1999
CID 72551585
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Gpd-1116
CID 9841417
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
3-ethyl-5-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrimidin-4-one
CID 71253681
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 46912928) is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCc2[nH]nc3ccnc(NC4CCCCC4)c23)CC1.
What is the InChIKey of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is KHVFRTCYQYFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-25-11-13-26(14-12-25)18(27)8-7-16-19-17(24-23-16)9-10-21-20(19)22-15-5-3-2-4-6-15/h9-10,15H,2-8,11-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 370.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 46912928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).