8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C18H16ClN5O2 — CID 118598850

IUPAC8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(Cl)cc(-n1ccc3cncnc31)c2=O
InChIInChI=1S/C18H16ClN5O2/c19-12-8-13(23-7-4-11-9-20-10-21-15(11)23)17(26)24-14(12)16(25)22-18(24)5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,22,25)
InChIKeyUMOMDELPDWYEPB-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.60
Rot. Bonds1

About 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598850) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118598850
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(Cl)cc(-n1ccc3cncnc31)c2=O
InChIInChI=1S/C18H16ClN5O2/c19-12-8-13(23-7-4-11-9-20-10-21-15(11)23)17(26)24-14(12)16(25)22-18(24)5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,22,25)
InChIKeyUMOMDELPDWYEPB-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione with MolForge

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Related Compounds

8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118599046
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118599080
3,3-dimethyl-6-pyrrolo[2,3-d]pyrimidin-7-yl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598959
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride
CID 161314213
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
CID 130444088
CID 130444088
1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
8-phenyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598595
N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
8-methyl-6-(pyrimidine-4-carbonyl)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118599084

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598850) is 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is O=C1NC2(CCCCC2)n2c1c(Cl)cc(-n1ccc3cncnc31)c2=O.
What is the InChIKey of 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is UMOMDELPDWYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-12-8-13(23-7-4-11-9-20-10-21-15(11)23)17(26)24-14(12)16(25)22-18(24)5-2-1-3-6-18/h4,7-10H,1-3,5-6H2,(H,22,25).
What are the key properties of 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 369.81 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-pyrrolo[2,3-d]pyrimidin-7-ylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).