1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one

C20H23N7O3S — CID 71735608

IUPAC1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one
SMILESO=C(c1cnc(NC2CC(n3c(=O)n(C4CC4)c4nccnc43)C2)s1)N1CCOCC1
InChIInChI=1S/C20H23N7O3S/c28-18(25-5-7-30-8-6-25)15-11-23-19(31-15)24-12-9-14(10-12)27-17-16(21-3-4-22-17)26(20(27)29)13-1-2-13/h3-4,11-14H,1-2,5-10H2,(H,23,24)
InChIKeyYCVQETQBMRJXGY-UHFFFAOYSA-N
MW441.52 g/mol
LogP1.67
Rot. Bonds5

About 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one

1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one (PubChem CID 71735608) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one
PubChem CID71735608
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one
SMILESO=C(c1cnc(NC2CC(n3c(=O)n(C4CC4)c4nccnc43)C2)s1)N1CCOCC1
InChIInChI=1S/C20H23N7O3S/c28-18(25-5-7-30-8-6-25)15-11-23-19(31-15)24-12-9-14(10-12)27-17-16(21-3-4-22-17)26(20(27)29)13-1-2-13/h3-4,11-14H,1-2,5-10H2,(H,23,24)
InChIKeyYCVQETQBMRJXGY-UHFFFAOYSA-N
XLogP1.67
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
CID 86694293
3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 71735448
2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80572046
3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 136512317
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
methyl 2-[(1-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 80571176
[(5R)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95108747
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
CID 57461514
4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 91131674
2-[(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571238
morpholin-4-yl-(1-pyrazin-2-ylazetidin-3-yl)methanone
CID 163352710
(1-cyclopropylimidazol-4-yl)-morpholin-4-ylmethanone
CID 141277117

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one (CID 71735608) is 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one is O=C(c1cnc(NC2CC(n3c(=O)n(C4CC4)c4nccnc43)C2)s1)N1CCOCC1.
What is the InChIKey of 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
The InChIKey is YCVQETQBMRJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c28-18(25-5-7-30-8-6-25)15-11-23-19(31-15)24-12-9-14(10-12)27-17-16(21-3-4-22-17)26(20(27)29)13-1-2-13/h3-4,11-14H,1-2,5-10H2,(H,23,24).
What are the key properties of 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one?
1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one has a molecular weight of 441.52 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 71735608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).