2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C25H27N7O3S — CID 165126768

IUPAC2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4cc5n(n4)CCN(S(C)(=O)=O)C5)cc3)n2c1
InChIInChI=1S/C25H27N7O3S/c1-16-12-27-25-28-22(19-7-8-19)23(31(25)14-16)24(33)26-13-17-3-5-18(6-4-17)21-11-20-15-30(36(2,34)35)9-10-32(20)29-21/h3-6,11-12,14,19H,7-10,13,15H2,1-2H3,(H,26,33)
InChIKeyJEVCVSNNJBPWQA-UHFFFAOYSA-N
MW505.60 g/mol
LogP2.48
Rot. Bonds6

About 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165126768) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID165126768
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC Name2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4cc5n(n4)CCN(S(C)(=O)=O)C5)cc3)n2c1
InChIInChI=1S/C25H27N7O3S/c1-16-12-27-25-28-22(19-7-8-19)23(31(25)14-16)24(33)26-13-17-3-5-18(6-4-17)21-11-20-15-30(36(2,34)35)9-10-32(20)29-21/h3-6,11-12,14,19H,7-10,13,15H2,1-2H3,(H,26,33)
InChIKeyJEVCVSNNJBPWQA-UHFFFAOYSA-N
XLogP2.48
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126619
2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 171735345
2-ethyl-6-methyl-N-[[2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]pyrimidin-5-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126668
2-ethyl-6-methyl-N-[[4-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126724
2-ethyl-6-methyl-N-[[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126629
2-cyclopropyl-N-[[3-fluoro-4-[N'-(1,2,3,6-tetrahydropyrazin-5-yl)carbamimidoyl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;trifluoromethanethiol
CID 165126643
2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol
CID 165126729
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 118792795
5-methyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazine-2-carboxamide
CID 70739116
5-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]thiophene-3-carboxamide
CID 122569401
2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 165126768) is 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is Cc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4cc5n(n4)CCN(S(C)(=O)=O)C5)cc3)n2c1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JEVCVSNNJBPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-16-12-27-25-28-22(19-7-8-19)23(31(25)14-16)24(33)26-13-17-3-5-18(6-4-17)21-11-20-15-30(36(2,34)35)9-10-32(20)29-21/h3-6,11-12,14,19H,7-10,13,15H2,1-2H3,(H,26,33).
What are the key properties of 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[[4-(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165126768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).