tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate

C22H28N6O5 — CID 118611668

IUPACtert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate
SMILESCc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O
InChIInChI=1S/C22H28N6O5/c1-12-9-13(25-15-10-16(24-11-23-15)26-20(32)33-21(2,3)4)19(31)28-17(12)18(30)27-22(28)8-6-5-7-14(22)29/h9-11,14,29H,5-8H2,1-4H3,(H,27,30)(H2,23,24,25,26,32)
InChIKeyUWKMEKWROCKHRH-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate

tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate (PubChem CID 118611668) has the molecular formula C22H28N6O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate
PubChem CID118611668
Molecular FormulaC22H28N6O5
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Nametert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate
SMILESCc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O
InChIInChI=1S/C22H28N6O5/c1-12-9-13(25-15-10-16(24-11-23-15)26-20(32)33-21(2,3)4)19(31)28-17(12)18(30)27-22(28)8-6-5-7-14(22)29/h9-11,14,29H,5-8H2,1-4H3,(H,27,30)(H2,23,24,25,26,32)
InChIKeyUWKMEKWROCKHRH-UHFFFAOYSA-N
XLogP2.37
TPSA147.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate with MolForge

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Related Compounds

CID 166460767
CID 166460767
CID 166460720
CID 166460720
tert-butyl N-[6-[[8-chloro-1'-methyl-2'-[(1Z)-2-methylbuta-1,3-dienyl]-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclopentene]-6-yl]amino]pyrimidin-4-yl]carbamate
CID 144985806
tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
CID 139465059
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
CID 172572700
CID 172572700
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 172572670
6-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 162431069
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
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate (CID 118611668) is tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate is Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O.
What is the InChIKey of tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate?
The InChIKey is UWKMEKWROCKHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O5/c1-12-9-13(25-15-10-16(24-11-23-15)26-20(32)33-21(2,3)4)19(31)28-17(12)18(30)27-22(28)8-6-5-7-14(22)29/h9-11,14,29H,5-8H2,1-4H3,(H,27,30)(H2,23,24,25,26,32).
What are the key properties of tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate?
tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate has a molecular weight of 456.50 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(2'-hydroxy-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 118611668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).