2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C24H29N7O — CID 165126726

IUPAC2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1cccc(CC2C=C3CNCCN3N2)c1
InChIInChI=1S/C24H29N7O/c1-3-21-22(30-15-16(2)12-27-24(30)28-21)23(32)26-13-18-6-4-5-17(9-18)10-19-11-20-14-25-7-8-31(20)29-19/h4-6,9,11-12,15,19,25,29H,3,7-8,10,13-14H2,1-2H3,(H,26,32)
InChIKeyYYUCXRYLUHKUKZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP1.75
Rot. Bonds6

About 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165126726) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID165126726
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1cccc(CC2C=C3CNCCN3N2)c1
InChIInChI=1S/C24H29N7O/c1-3-21-22(30-15-16(2)12-27-24(30)28-21)23(32)26-13-18-6-4-5-17(9-18)10-19-11-20-14-25-7-8-31(20)29-19/h4-6,9,11-12,15,19,25,29H,3,7-8,10,13-14H2,1-2H3,(H,26,32)
InChIKeyYYUCXRYLUHKUKZ-UHFFFAOYSA-N
XLogP1.75
TPSA86.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

[1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 165126504
2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126783
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-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
6-chloro-2-ethyl-N-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135194020
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193990
2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 176613992
6-chloro-2-ethyl-N-[[3-fluoro-4-(3-methyl-5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126398
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
2-ethyl-6-methyl-N-[(1-methylindol-6-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469011
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
6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165413669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 165126726) is 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(C)cn2c1C(=O)NCc1cccc(CC2C=C3CNCCN3N2)c1.
What is the InChIKey of 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YYUCXRYLUHKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-3-21-22(30-15-16(2)12-27-24(30)28-21)23(32)26-13-18-6-4-5-17(9-18)10-19-11-20-14-25-7-8-31(20)29-19/h4-6,9,11-12,15,19,25,29H,3,7-8,10,13-14H2,1-2H3,(H,26,32).
What are the key properties of 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165126726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).