N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C23H26N6O3 — CID 139387402

IUPACN-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESC=Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)N(C)C21CCCCC1
InChIInChI=1S/C23H26N6O3/c1-3-14-11-16(26-17-12-18(25-13-24-17)27-20(30)15-7-8-15)21(31)29-19(14)22(32)28(2)23(29)9-5-4-6-10-23/h3,11-13,15H,1,4-10H2,2H3,(H2,24,25,26,27,30)
InChIKeyYXFVNXWAOHJYNS-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.08
Rot. Bonds5

About N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 139387402) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID139387402
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESC=Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)N(C)C21CCCCC1
InChIInChI=1S/C23H26N6O3/c1-3-14-11-16(26-17-12-18(25-13-24-17)27-20(30)15-7-8-15)21(31)29-19(14)22(32)28(2)23(29)9-5-4-6-10-23/h3,11-13,15H,1,4-10H2,2H3,(H2,24,25,26,27,30)
InChIKeyYXFVNXWAOHJYNS-UHFFFAOYSA-N
XLogP3.08
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-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
potassium;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione;N-[6-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157430130
CID 166460767
CID 166460767
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-[(8-chloro-3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118599096
CID 166460764
CID 166460764
CID 166460720
CID 166460720
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
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-[[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

Frequently Asked Questions

What is the IUPAC name of N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 139387402) is N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is C=Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)N(C)C21CCCCC1.
What is the InChIKey of N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is YXFVNXWAOHJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-3-14-11-16(26-17-12-18(25-13-24-17)27-20(30)15-7-8-15)21(31)29-19(14)22(32)28(2)23(29)9-5-4-6-10-23/h3,11-13,15H,1,4-10H2,2H3,(H2,24,25,26,27,30).
What are the key properties of N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(8'-ethenyl-2'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-6'-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139387402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).