(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C16H18ClN7O2 — CID 122634969

IUPAC(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)N[C@]21CCCNC1
InChIInChI=1S/C16H18ClN7O2/c1-8-5-9(22-13-10(17)12(18)20-7-21-13)15(26)24-11(8)14(25)23-16(24)3-2-4-19-6-16/h5,7,19H,2-4,6H2,1H3,(H,23,25)(H3,18,20,21,22)/t16-/m1/s1
InChIKeyQRHDLMIJTAGTPV-MRXNPFEDSA-N
MW375.82 g/mol
LogP0.71
Rot. Bonds2

About (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 122634969) has the molecular formula C16H18ClN7O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID122634969
Molecular FormulaC16H18ClN7O2
Molecular Weight375.82 g/mol
Exact Mass375.12
IUPAC Name(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)N[C@]21CCCNC1
InChIInChI=1S/C16H18ClN7O2/c1-8-5-9(22-13-10(17)12(18)20-7-21-13)15(26)24-11(8)14(25)23-16(24)3-2-4-19-6-16/h5,7,19H,2-4,6H2,1H3,(H,23,25)(H3,18,20,21,22)/t16-/m1/s1
InChIKeyQRHDLMIJTAGTPV-MRXNPFEDSA-N
XLogP0.71
TPSA126.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 139479919
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-1',3',3',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,5'-piperidine]-1,5-dione
CID 139479932
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598694
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 135259019
6-[(6-amino-5-methylpyrimidin-4-yl)amino]-1'-(isocyanomethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123287055
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 142402558
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetic acid
CID 135259067

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 122634969) is (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is Cc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)N[C@]21CCCNC1.
What is the InChIKey of (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is QRHDLMIJTAGTPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18ClN7O2/c1-8-5-9(22-13-10(17)12(18)20-7-21-13)15(26)24-11(8)14(25)23-16(24)3-2-4-19-6-16/h5,7,19H,2-4,6H2,1H3,(H,23,25)(H3,18,20,21,22)/t16-/m1/s1.
What are the key properties of (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
(3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 375.82 g/mol, XLogP of 0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 122634969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).