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

C22H31N5O — CID 121365372

IUPAC1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCN(C)C2)C1
InChIInChI=1S/C22H31N5O/c1-16-6-4-8-19(12-16)23-22-20-15-26(17(2)28)11-9-21(20)27(24-22)14-18-7-5-10-25(3)13-18/h4,6,8,12,18H,5,7,9-11,13-15H2,1-3H3,(H,23,24)
InChIKeyOUCCNNRMQGXHRF-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.18
Rot. Bonds4

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

1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121365372) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121365372
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCN(C)C2)C1
InChIInChI=1S/C22H31N5O/c1-16-6-4-8-19(12-16)23-22-20-15-26(17(2)28)11-9-21(20)27(24-22)14-18-7-5-10-25(3)13-18/h4,6,8,12,18H,5,7,9-11,13-15H2,1-3H3,(H,23,24)
InChIKeyOUCCNNRMQGXHRF-UHFFFAOYSA-N
XLogP3.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclohexylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 159840830
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-[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-[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-[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
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
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
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-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121365372) is 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CCCN(C)C2)C1.
What is the InChIKey of 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OUCCNNRMQGXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-16-6-4-8-19(12-16)23-22-20-15-26(17(2)28)11-9-21(20)27(24-22)14-18-7-5-10-25(3)13-18/h4,6,8,12,18H,5,7,9-11,13-15H2,1-3H3,(H,23,24).
What are the key properties of 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 381.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylanilino)-1-[(1-methylpiperidin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).