N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

C20H22N6O2 — CID 167945291

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1c2c(nn1C)CCC2
InChIInChI=1S/C20H22N6O2/c1-12-14(20(28)24-18(22-12)13-8-10-21-11-9-13)6-7-17(27)23-19-15-4-3-5-16(15)25-26(19)2/h8-11H,3-7H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyFPTAABSWRSFYQU-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.93
Rot. Bonds5

About N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (PubChem CID 167945291) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
PubChem CID167945291
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1c2c(nn1C)CCC2
InChIInChI=1S/C20H22N6O2/c1-12-14(20(28)24-18(22-12)13-8-10-21-11-9-13)6-7-17(27)23-19-15-4-3-5-16(15)25-26(19)2/h8-11H,3-7H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyFPTAABSWRSFYQU-UHFFFAOYSA-N
XLogP1.93
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-methylsulfonylpropanamide
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N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
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N-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136579963
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-pyridin-4-ylpropanamide
CID 135956168
4-methyl-5-[3-oxo-3-(2-propanoylpiperidin-1-yl)propyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136532660
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide
CID 135676905
N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide
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N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224
4-methyl-5-[3-[2-(2-methylpropyl)azepan-1-yl]-3-oxopropyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136527439
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 47777690
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 135965594
2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride
CID 119822829

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide (CID 167945291) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1c2c(nn1C)CCC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
The InChIKey is FPTAABSWRSFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-14(20(28)24-18(22-12)13-8-10-21-11-9-13)6-7-17(27)23-19-15-4-3-5-16(15)25-26(19)2/h8-11H,3-7H2,1-2H3,(H,23,27)(H,22,24,28).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide has a molecular weight of 378.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 167945291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).