N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide

C20H21ClN6O — CID 164613597

IUPACN-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide
SMILESCc1nccc(-n2ncc3c2CCN(C(C)C(=O)Nc2ccc(Cl)cc2)C3)n1
InChIInChI=1S/C20H21ClN6O/c1-13(20(28)25-17-5-3-16(21)4-6-17)26-10-8-18-15(12-26)11-23-27(18)19-7-9-22-14(2)24-19/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,25,28)
InChIKeyPBQFXLZHNQKTKY-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.01
Rot. Bonds4

About N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide

N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide (PubChem CID 164613597) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide
PubChem CID164613597
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC NameN-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide
SMILESCc1nccc(-n2ncc3c2CCN(C(C)C(=O)Nc2ccc(Cl)cc2)C3)n1
InChIInChI=1S/C20H21ClN6O/c1-13(20(28)25-17-5-3-16(21)4-6-17)26-10-8-18-15(12-26)11-23-27(18)19-7-9-22-14(2)24-19/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,25,28)
InChIKeyPBQFXLZHNQKTKY-UHFFFAOYSA-N
XLogP3.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide (CID 164613597) is N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide is Cc1nccc(-n2ncc3c2CCN(C(C)C(=O)Nc2ccc(Cl)cc2)C3)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide?
The InChIKey is PBQFXLZHNQKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-13(20(28)25-17-5-3-16(21)4-6-17)26-10-8-18-15(12-26)11-23-27(18)19-7-9-22-14(2)24-19/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide?
N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide has a molecular weight of 396.88 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 164613597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).