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

C23H25N5O — CID 121372997

IUPAC1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1
InChIInChI=1S/C23H25N5O/c1-16(29)27-11-9-22-21(15-27)23(26-28(22)14-17-7-8-17)25-20-6-2-4-18(12-20)19-5-3-10-24-13-19/h2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,26)
InChIKeyYSBDLHAKVVSCMY-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.00
Rot. Bonds5

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

1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372997) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372997
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1
InChIInChI=1S/C23H25N5O/c1-16(29)27-11-9-22-21(15-27)23(26-28(22)14-17-7-8-17)25-20-6-2-4-18(12-20)19-5-3-10-24-13-19/h2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,26)
InChIKeyYSBDLHAKVVSCMY-UHFFFAOYSA-N
XLogP4.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372997) is 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is YSBDLHAKVVSCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16(29)27-11-9-22-21(15-27)23(26-28(22)14-17-7-8-17)25-20-6-2-4-18(12-20)19-5-3-10-24-13-19/h2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,26).
What are the key properties of 1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-(3-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 387.49 g/mol, XLogP of 4.00, 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-pyridin-3-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).