N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

C24H26ClN7O3 — CID 135375556

IUPACN-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5cncnc5)cc4Cl)CC3C2)c1
InChIInChI=1S/C24H26ClN7O3/c1-16(33)29(2)20-6-28-32(14-20)24(34)31-12-18-10-30(11-19(18)13-31)9-17-3-4-21(5-23(17)25)35-22-7-26-15-27-8-22/h3-8,14-15,18-19H,9-13H2,1-2H3
InChIKeyMKDOAWKQMONYDN-UHFFFAOYSA-N
MW495.97 g/mol
LogP3.13
Rot. Bonds5

About N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375556) has the molecular formula C24H26ClN7O3 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375556
Molecular FormulaC24H26ClN7O3
Molecular Weight495.97 g/mol
Exact Mass495.18
IUPAC NameN-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5cncnc5)cc4Cl)CC3C2)c1
InChIInChI=1S/C24H26ClN7O3/c1-16(33)29(2)20-6-28-32(14-20)24(34)31-12-18-10-30(11-19(18)13-31)9-17-3-4-21(5-23(17)25)35-22-7-26-15-27-8-22/h3-8,14-15,18-19H,9-13H2,1-2H3
InChIKeyMKDOAWKQMONYDN-UHFFFAOYSA-N
XLogP3.13
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 145315957
N-[1-[2-[(2,3-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375660
N-[1-[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375830
N-[1-[2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 145315961
N-methyl-N-[1-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375972
2-[4-[4-[[5-[4-[acetyl(methyl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-chlorophenyl]morpholin-2-yl]-N-methyl-N-[1-[2-[(4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 145316152
[2-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145315974
N-acetyl-1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-methylpyrazole-4-carboxamide
CID 135375736
N-methyl-N-[1-[2-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375571
N-methyl-N-[1-[2-[(3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375463
[(3aR,6aS)-2-[4-[acetyl(methyl)amino]pyrazole-1-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-[(2,5-dichlorophenyl)methyl]-methylazanium
CID 145315970
N-[1-[(3aR,6aS)-5-[(3-chlorophenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 138716611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375556) is N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5cncnc5)cc4Cl)CC3C2)c1.
What is the InChIKey of N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is MKDOAWKQMONYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O3/c1-16(33)29(2)20-6-28-32(14-20)24(34)31-12-18-10-30(11-19(18)13-31)9-17-3-4-21(5-23(17)25)35-22-7-26-15-27-8-22/h3-8,14-15,18-19H,9-13H2,1-2H3.
What are the key properties of N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 495.97 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).