1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H25N5O — CID 159049703

IUPAC1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1
InChIInChI=1S/C22H25N5O/c1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18/h2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25)
InChIKeyJXCNEEIIRJNZBG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.41
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159049703) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159049703
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1
InChIInChI=1S/C22H25N5O/c1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18/h2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25)
InChIKeyJXCNEEIIRJNZBG-UHFFFAOYSA-N
XLogP3.41
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373156
1-[1-(cyclopropylmethyl)-3-[3-(4-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1,2-oxazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160926101
1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159840830
1-[1-(cyclopropylmethyl)-3-[4-(3-fluorophenyl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373008
1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373011
1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365372
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373020
1-[1-ethyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383107
1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-(cyclopropylmethyl)-5-methyl-N-(3-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 139399019
1-(cyclopropylmethyl)-5-prop-1-en-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 139399172
3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
CID 82588897

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159049703) is 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C4=CCN=C4)c3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is JXCNEEIIRJNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15(28)26-10-8-21-20(14-26)22(25-27(21)13-16-5-6-16)24-19-4-2-3-17(11-19)18-7-9-23-12-18/h2-4,7,11-12,16H,5-6,8-10,13-14H2,1H3,(H,24,25).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-[3-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159049703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).