5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide

C20H25N7O2 — CID 91912940

IUPAC5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C20H25N7O2/c1-14-12-24-17(13-23-14)18(28)25-16-5-2-4-15(16)19(29)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h3,6-7,12-13,15-16H,2,4-5,8-11H2,1H3,(H,25,28)/t15-,16+/m0/s1
InChIKeyILJDBXBAIYCICI-JKSUJKDBSA-N
MW395.47 g/mol
LogP0.82
Rot. Bonds4

About 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide

5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide (PubChem CID 91912940) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
PubChem CID91912940
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C20H25N7O2/c1-14-12-24-17(13-23-14)18(28)25-16-5-2-4-15(16)19(29)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h3,6-7,12-13,15-16H,2,4-5,8-11H2,1H3,(H,25,28)/t15-,16+/m0/s1
InChIKeyILJDBXBAIYCICI-JKSUJKDBSA-N
XLogP0.82
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[(1R,2S)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925573
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
5-methyl-N-[(1R,2S)-2-(3-phenylpropylcarbamoyl)cyclopentyl]pyrazine-2-carboxamide
CID 91925585
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
CID 110876714
N-[(1R,2S)-2-(4-methylpiperidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 91925633
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139236

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide (CID 91912940) is 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is ILJDBXBAIYCICI-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-14-12-24-17(13-23-14)18(28)25-16-5-2-4-15(16)19(29)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h3,6-7,12-13,15-16H,2,4-5,8-11H2,1H3,(H,25,28)/t15-,16+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide?
5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91912940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).