N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide

C18H25N5O3S — CID 134158091

IUPACN-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ncc(C(=O)NC4CCCC4)cn23)CC1
InChIInChI=1S/C18H25N5O3S/c1-27(25,26)22-10-8-21(9-11-22)17-7-6-16-19-12-14(13-23(16)17)18(24)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,24)
InChIKeyXOZOZBZJWLNORZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.09
Rot. Bonds4

About N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide

N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 134158091) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide
PubChem CID134158091
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ncc(C(=O)NC4CCCC4)cn23)CC1
InChIInChI=1S/C18H25N5O3S/c1-27(25,26)22-10-8-21(9-11-22)17-7-6-16-19-12-14(13-23(16)17)18(24)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,24)
InChIKeyXOZOZBZJWLNORZ-UHFFFAOYSA-N
XLogP1.09
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448022
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999696

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide (CID 134158091) is N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide is CS(=O)(=O)N1CCN(c2ccc3ncc(C(=O)NC4CCCC4)cn23)CC1.
What is the InChIKey of N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XOZOZBZJWLNORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-27(25,26)22-10-8-21(9-11-22)17-7-6-16-19-12-14(13-23(16)17)18(24)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide?
N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134158091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).