2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one

C26H29N7O3 — CID 160602400

IUPAC2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one
SMILESCc1cc(N)nc2c1C(CC(=O)c1cn(Cc3ccc(N4CC5COCCN5C4=O)cc3)nn1)CC2
InChIInChI=1S/C26H29N7O3/c1-16-10-24(27)28-21-7-4-18(25(16)21)11-23(34)22-14-31(30-29-22)12-17-2-5-19(6-3-17)33-13-20-15-36-9-8-32(20)26(33)35/h2-3,5-6,10,14,18,20H,4,7-9,11-13,15H2,1H3,(H2,27,28)
InChIKeyNFZVJBBZPVWRFL-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one

2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one (PubChem CID 160602400) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one
PubChem CID160602400
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one
SMILESCc1cc(N)nc2c1C(CC(=O)c1cn(Cc3ccc(N4CC5COCCN5C4=O)cc3)nn1)CC2
InChIInChI=1S/C26H29N7O3/c1-16-10-24(27)28-21-7-4-18(25(16)21)11-23(34)22-14-31(30-29-22)12-17-2-5-19(6-3-17)33-13-20-15-36-9-8-32(20)26(33)35/h2-3,5-6,10,14,18,20H,4,7-9,11-13,15H2,1H3,(H2,27,28)
InChIKeyNFZVJBBZPVWRFL-UHFFFAOYSA-N
XLogP2.56
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one?
The IUPAC name of 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one (CID 160602400) is 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one.
What is the SMILES notation for 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one?
The canonical SMILES for 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one is Cc1cc(N)nc2c1C(CC(=O)c1cn(Cc3ccc(N4CC5COCCN5C4=O)cc3)nn1)CC2.
What is the InChIKey of 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one?
The InChIKey is NFZVJBBZPVWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-16-10-24(27)28-21-7-4-18(25(16)21)11-23(34)22-14-31(30-29-22)12-17-2-5-19(6-3-17)33-13-20-15-36-9-8-32(20)26(33)35/h2-3,5-6,10,14,18,20H,4,7-9,11-13,15H2,1H3,(H2,27,28).
What are the key properties of 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one?
2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one has a molecular weight of 487.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[2-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]-5,6,8,8a-tetrahydro-1H-imidazo[5,1-c][1,4]oxazin-3-one is sourced from PubChem (CID 160602400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).