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

C19H27N5O — CID 46912923

IUPAC3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCCC1
InChIInChI=1S/C19H27N5O/c25-17(24-12-4-5-13-24)9-8-15-18-16(23-22-15)10-11-20-19(18)21-14-6-2-1-3-7-14/h10-11,14H,1-9,12-13H2,(H,20,21)(H,22,23)
InChIKeyXPMMQUOZLQYRFI-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.26
Rot. Bonds5

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

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 46912923) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID46912923
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCCC1
InChIInChI=1S/C19H27N5O/c25-17(24-12-4-5-13-24)9-8-15-18-16(23-22-15)10-11-20-19(18)21-14-6-2-1-3-7-14/h10-11,14H,1-9,12-13H2,(H,20,21)(H,22,23)
InChIKeyXPMMQUOZLQYRFI-UHFFFAOYSA-N
XLogP3.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 46912928
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 56940770
1-[(3S)-3-methylpiperidin-1-yl]-3-[4-(oxan-4-ylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propan-1-one
CID 66828970
N-cyclohexyl-3-(2-pyridin-4-ylethenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 68780511
3-cyano-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide
CID 59619142
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(3-fluorophenyl)pentan-3-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-(4-fluorophenyl)pentan-3-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-5-pyridin-4-ylpentan-3-one;sulfane
CID 161191171
4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one;3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]propan-1-one;(E)-3-(4-methoxy-2H-pyrazolo[4,3-c]pyridin-3-yl)-1-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 161275867
1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53185557
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
CID 95826603
N-cyclohexyl-3-methyl-2H-pyrazolo[4,3-c]pyridine-4-carboxamide
CID 59619080

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 46912923) is 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCCC1.
What is the InChIKey of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XPMMQUOZLQYRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-17(24-12-4-5-13-24)9-8-15-18-16(23-22-15)10-11-20-19(18)21-14-6-2-1-3-7-14/h10-11,14H,1-9,12-13H2,(H,20,21)(H,22,23).
What are the key properties of 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 341.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 46912923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).