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

C28H30FN7O6 — CID 177200123

IUPACtert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
SMILESCO[C@@H]1CC[C@H]1NC(=O)c1onc2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cn4)c3=O)nc12
InChIInChI=1S/C28H30FN7O6/c1-28(2,3)41-27(39)35(4)18-13-20(31-17-7-6-12-36(26(17)38)21-11-8-15(29)14-30-21)33-23-22(18)34-42-24(23)25(37)32-16-9-10-19(16)40-5/h6-8,11-14,16,19H,9-10H2,1-5H3,(H,31,33)(H,32,37)/t16-,19-/m1/s1
InChIKeyHPWZNSMCSOHIHN-VQIMIIECSA-N
MW579.59 g/mol
LogP3.93
Rot. Bonds7

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

tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate (PubChem CID 177200123) has the molecular formula C28H30FN7O6 and a molecular weight of 579.59 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
PubChem CID177200123
Molecular FormulaC28H30FN7O6
Molecular Weight579.59 g/mol
Exact Mass579.22
IUPAC Nametert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate
SMILESCO[C@@H]1CC[C@H]1NC(=O)c1onc2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cn4)c3=O)nc12
InChIInChI=1S/C28H30FN7O6/c1-28(2,3)41-27(39)35(4)18-13-20(31-17-7-6-12-36(26(17)38)21-11-8-15(29)14-30-21)33-23-22(18)34-42-24(23)25(37)32-16-9-10-19(16)40-5/h6-8,11-14,16,19H,9-10H2,1-5H3,(H,31,33)(H,32,37)/t16-,19-/m1/s1
InChIKeyHPWZNSMCSOHIHN-VQIMIIECSA-N
XLogP3.93
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate (CID 177200123) is tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate is CO[C@@H]1CC[C@H]1NC(=O)c1onc2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cn4)c3=O)nc12.
What is the InChIKey of tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
The InChIKey is HPWZNSMCSOHIHN-VQIMIIECSA-N. The full InChI is InChI=1S/C28H30FN7O6/c1-28(2,3)41-27(39)35(4)18-13-20(31-17-7-6-12-36(26(17)38)21-11-8-15(29)14-30-21)33-23-22(18)34-42-24(23)25(37)32-16-9-10-19(16)40-5/h6-8,11-14,16,19H,9-10H2,1-5H3,(H,31,33)(H,32,37)/t16-,19-/m1/s1.
What are the key properties of tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate has a molecular weight of 579.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-[1,2]oxazolo[4,3-b]pyridin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 177200123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).