N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

C23H21F2N7O4 — CID 177200342

IUPACN-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12
InChIInChI=1S/C23H21F2N7O4/c1-26-14-11-16(28-13-5-4-10-32(22(13)34)17-6-2-3-9-27-17)30-19-18(14)31-36-20(19)21(33)29-12-7-8-15(12)35-23(24)25/h2-6,9-12,15,23,26H,7-8H2,1H3,(H,28,30)(H,29,33)/t12-,15-/m1/s1
InChIKeyBQUGAPOZDPAMSE-IUODEOHRSA-N
MW497.46 g/mol
LogP3.05
Rot. Bonds8

About N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200342) has the molecular formula C23H21F2N7O4 and a molecular weight of 497.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
PubChem CID177200342
Molecular FormulaC23H21F2N7O4
Molecular Weight497.46 g/mol
Exact Mass497.16
IUPAC NameN-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12
InChIInChI=1S/C23H21F2N7O4/c1-26-14-11-16(28-13-5-4-10-32(22(13)34)17-6-2-3-9-27-17)30-19-18(14)31-36-20(19)21(33)29-12-7-8-15(12)35-23(24)25/h2-6,9-12,15,23,26H,7-8H2,1H3,(H,28,30)(H,29,33)/t12-,15-/m1/s1
InChIKeyBQUGAPOZDPAMSE-IUODEOHRSA-N
XLogP3.05
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-[[3-(3-Methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 134805325
N-(2-methoxyethyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
CID 134806956
N-(3-methoxypropyl)-3-(3-methyl-5-phenyl-[1,2]oxazolo[4,5-b]pyridin-7-yl)pyridin-2-amine
CID 134808350
N-[3-[5-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]phenyl]prop-2-enamide
CID 122474175
N-[3-[5-[2,3-difluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]phenyl]prop-2-enamide
CID 122474736
N-[3-[5-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]anilino]-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]phenyl]prop-2-enamide
CID 122475236
5-[[1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200020
methyl 5-[[1-[(3S,4R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylate
CID 177200025
5-[[1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200043
methyl 5-[[1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylate
CID 177200066
5-[[1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200076
5-[[1-(5-Fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxylic acid
CID 177200092

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200342) is N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC(F)F)onc12.
What is the InChIKey of N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is BQUGAPOZDPAMSE-IUODEOHRSA-N. The full InChI is InChI=1S/C23H21F2N7O4/c1-26-14-11-16(28-13-5-4-10-32(22(13)34)17-6-2-3-9-27-17)30-19-18(14)31-36-20(19)21(33)29-12-7-8-15(12)35-23(24)25/h2-6,9-12,15,23,26H,7-8H2,1H3,(H,28,30)(H,29,33)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(difluoromethoxy)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).