[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate

C23H22N8O6 — CID 177200263

About [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate

[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate (PubChem CID 177200263) has the molecular formula C23H22N8O6 and a molecular weight of 506.48 g/mol. Its IUPAC name is [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate
• PubChem CID: 177200263
• Molecular Formula: C23H22N8O6
• Molecular Weight: 506.48 g/mol
• Exact Mass: 506.17
• IUPAC Name: [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate
• SMILES: CNC(=O)Oc1cc(Nc2cccn(-c3cncnc3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
• InChI: InChI=1S/C23H22N8O6/c1-24-23(34)36-16-8-17(27-14-4-3-7-31(22(14)33)12-9-25-11-26-10-12)29-19-18(16)30-37-20(19)21(32)28-13-5-6-15(13)35-2/h3-4,7-11,13,15H,5-6H2,1-2H3,(H,24,34)(H,27,29)(H,28,32)/t13-,15-/m1/s1
• InChIKey: QTDNDLKSOVURRD-UKRRQHHQSA-N
• XLogP: 1.53
• TPSA: 175.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.48
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate?

The IUPAC name of [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate (CID 177200263) is [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate.

What is the SMILES notation for [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate?

The canonical SMILES for [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate is CNC(=O)Oc1cc(Nc2cccn(-c3cncnc3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12.

What is the InChIKey of [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate?

The InChIKey is QTDNDLKSOVURRD-UKRRQHHQSA-N. The full InChI is InChI=1S/C23H22N8O6/c1-24-23(34)36-16-8-17(27-14-4-3-7-31(22(14)33)12-9-25-11-26-10-12)29-19-18(16)30-37-20(19)21(32)28-13-5-6-15(13)35-2/h3-4,7-11,13,15H,5-6H2,1-2H3,(H,24,34)(H,27,29)(H,28,32)/t13-,15-/m1/s1.

What are the key properties of [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate?

[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate has a molecular weight of 506.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-5-[(2-oxo-1-pyrimidin-5-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridin-7-yl] N-methylcarbamate is sourced from PubChem (CID 177200263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).