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

C20H20ClFN6O3 — CID 118598931

IUPACN-[6-[(8-chloro-2'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NC2(CCCCC2F)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O
InChIInChI=1S/C20H20ClFN6O3/c21-11-7-12(25-14-8-15(24-9-23-14)26-17(29)10-4-5-10)19(31)28-16(11)18(30)27-20(28)6-2-1-3-13(20)22/h7-10,13H,1-6H2,(H,27,30)(H2,23,24,25,26,29)
InChIKeyQOMAZSXQBKIGAM-UHFFFAOYSA-N
MW446.87 g/mol
LogP2.69
Rot. Bonds4

About 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

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 (PubChem CID 118598931) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[6-[(8-chloro-2'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID118598931
Molecular FormulaC20H20ClFN6O3
Molecular Weight446.87 g/mol
Exact Mass446.13
IUPAC NameN-[6-[(8-chloro-2'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NC2(CCCCC2F)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O
InChIInChI=1S/C20H20ClFN6O3/c21-11-7-12(25-14-8-15(24-9-23-14)26-17(29)10-4-5-10)19(31)28-16(11)18(30)27-20(28)6-2-1-3-13(20)22/h7-10,13H,1-6H2,(H,27,30)(H2,23,24,25,26,29)
InChIKeyQOMAZSXQBKIGAM-UHFFFAOYSA-N
XLogP2.69
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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-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-[[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
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 166460767
CID 166460767
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
CID 166460764
CID 166460764
CID 166460720
CID 166460720
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1NC2(CCCCC2F)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.
What is the InChIKey of 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?
The InChIKey is QOMAZSXQBKIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c21-11-7-12(25-14-8-15(24-9-23-14)26-17(29)10-4-5-10)19(31)28-16(11)18(30)27-20(28)6-2-1-3-13(20)22/h7-10,13H,1-6H2,(H,27,30)(H2,23,24,25,26,29).
What are the key properties of 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?
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 has a molecular weight of 446.87 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118598931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).