1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea

C24H25ClN6O3 — CID 129229027

IUPAC1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)cc2)cc1Cl
InChIInChI=1S/C24H25ClN6O3/c1-13(2)23-30-20(21-22(26)27-9-10-31(21)23)14-5-7-15(8-6-14)28-24(32)29-17-11-16(25)18(33-3)12-19(17)34-4/h5-13H,1-4H3,(H2,26,27)(H2,28,29,32)
InChIKeyJXLDPFDXUFHLOE-UHFFFAOYSA-N
MW480.96 g/mol
LogP5.42
Rot. Bonds6

About 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea

1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea (PubChem CID 129229027) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
PubChem CID129229027
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)cc2)cc1Cl
InChIInChI=1S/C24H25ClN6O3/c1-13(2)23-30-20(21-22(26)27-9-10-31(21)23)14-5-7-15(8-6-14)28-24(32)29-17-11-16(25)18(33-3)12-19(17)34-4/h5-13H,1-4H3,(H2,26,27)(H2,28,29,32)
InChIKeyJXLDPFDXUFHLOE-UHFFFAOYSA-N
XLogP5.42
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46381141
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
CID 160676850
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
1-(5-chloro-2,4-dimethoxyphenyl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 174222135
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea (CID 129229027) is 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea is COc1cc(OC)c(NC(=O)Nc2ccc(-c3nc(C(C)C)n4ccnc(N)c34)cc2)cc1Cl.
What is the InChIKey of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The InChIKey is JXLDPFDXUFHLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-13(2)23-30-20(21-22(26)27-9-10-31(21)23)14-5-7-15(8-6-14)28-24(32)29-17-11-16(25)18(33-3)12-19(17)34-4/h5-13H,1-4H3,(H2,26,27)(H2,28,29,32).
What are the key properties of 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea?
1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea has a molecular weight of 480.96 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-3-(5-chloro-2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 129229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).