N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

C23H21ClN6O3 — CID 118598735

IUPACN-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cccc(C2(C)NC(=O)c3c(Cl)cc(Nc4cc(NC(=O)C5CC5)ncn4)c(=O)n32)c1
InChIInChI=1S/C23H21ClN6O3/c1-12-4-3-5-14(8-12)23(2)29-21(32)19-15(24)9-16(22(33)30(19)23)27-17-10-18(26-11-25-17)28-20(31)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,29,32)(H2,25,26,27,28,31)
InChIKeyBTWBZSJFPTZYBY-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.16
Rot. Bonds5

About N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 118598735) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118598735
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC NameN-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCc1cccc(C2(C)NC(=O)c3c(Cl)cc(Nc4cc(NC(=O)C5CC5)ncn4)c(=O)n32)c1
InChIInChI=1S/C23H21ClN6O3/c1-12-4-3-5-14(8-12)23(2)29-21(32)19-15(24)9-16(22(33)30(19)23)27-17-10-18(26-11-25-17)28-20(31)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,29,32)(H2,25,26,27,28,31)
InChIKeyBTWBZSJFPTZYBY-UHFFFAOYSA-N
XLogP3.16
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(8-chloro-3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118599096
bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione);N-[6-[(8-chloro-3,3-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 157481702
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 161122031
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide
CID 139387357
N-[6-[(8-chloro-2'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598931
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
N-[6-[(3-methyl-1,5-dioxo-3-propan-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598957
CID 166460767
CID 166460767
N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
CID 166460764
CID 166460764
CID 166460720
CID 166460720

Frequently Asked Questions

What is the IUPAC name of N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 118598735) is N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is Cc1cccc(C2(C)NC(=O)c3c(Cl)cc(Nc4cc(NC(=O)C5CC5)ncn4)c(=O)n32)c1.
What is the InChIKey of N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is BTWBZSJFPTZYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-12-4-3-5-14(8-12)23(2)29-21(32)19-15(24)9-16(22(33)30(19)23)27-17-10-18(26-11-25-17)28-20(31)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,29,32)(H2,25,26,27,28,31).
What are the key properties of N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 464.91 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118598735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).