3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide

C21H27N5O2 — CID 121373043

IUPAC3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1
InChIInChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)
InChIKeyRONQAYQWPFKHGK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.64
Rot. Bonds5

About 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide

3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide (PubChem CID 121373043) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide
PubChem CID121373043
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1
InChIInChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23)
InChIKeyRONQAYQWPFKHGK-UHFFFAOYSA-N
XLogP2.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide (CID 121373043) is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide is CC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1.
What is the InChIKey of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is RONQAYQWPFKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide?
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 121373043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).