6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C21H23N5O3 — CID 135259085

IUPAC6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3oc(C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H23N5O3/c1-11-9-14(24-17-15-12(2)13(3)29-19(15)23-10-22-17)20(28)26-16(11)18(27)25-21(26)7-5-4-6-8-21/h9-10H,4-8H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyFKWOFVRFEGWALA-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.41
Rot. Bonds2

About 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259085) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID135259085
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3oc(C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H23N5O3/c1-11-9-14(24-17-15-12(2)13(3)29-19(15)23-10-22-17)20(28)26-16(11)18(27)25-21(26)7-5-4-6-8-21/h9-10H,4-8H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyFKWOFVRFEGWALA-UHFFFAOYSA-N
XLogP3.41
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259085) is 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ncnc3oc(C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is FKWOFVRFEGWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-11-9-14(24-17-15-12(2)13(3)29-19(15)23-10-22-17)20(28)26-16(11)18(27)25-21(26)7-5-4-6-8-21/h9-10H,4-8H2,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 393.45 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).