1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H30N4O — CID 159840830

IUPAC1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCCC2)C1
InChIInChI=1S/C22H30N4O/c1-16-7-6-10-19(13-16)23-22-20-15-25(17(2)27)12-11-21(20)26(24-22)14-18-8-4-3-5-9-18/h6-7,10,13,18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,23,24)
InChIKeyNOQQVDSAFNXOKD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.42
Rot. Bonds4

About 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159840830) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159840830
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCCC2)C1
InChIInChI=1S/C22H30N4O/c1-16-7-6-10-19(13-16)23-22-20-15-25(17(2)27)12-11-21(20)26(24-22)14-18-8-4-3-5-9-18/h6-7,10,13,18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,23,24)
InChIKeyNOQQVDSAFNXOKD-UHFFFAOYSA-N
XLogP4.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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-[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-(2H-pyrrol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159049703
1-[3-(3-methylanilino)-1-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372885
1-[1-(cyclopropylmethyl)-3-[4-[3-(hydroxymethyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373011
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-(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
1-[1-ethyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383107
4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 162008850

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159840830) is 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCCC2)C1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NOQQVDSAFNXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-6-10-19(13-16)23-22-20-15-25(17(2)27)12-11-21(20)26(24-22)14-18-8-4-3-5-9-18/h6-7,10,13,18H,3-5,8-9,11-12,14-15H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159840830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).