N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

C23H23N7O4 — CID 177200241

IUPACN-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(OC)nc3)c2=O)nc2c(C(=O)NC3CCC3)onc12
InChIInChI=1S/C23H23N7O4/c1-24-16-11-17(28-20-19(16)29-34-21(20)22(31)26-13-5-3-6-13)27-15-7-4-10-30(23(15)32)14-8-9-18(33-2)25-12-14/h4,7-13,24H,3,5-6H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyFRFLWDMRSVECAC-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.84
Rot. Bonds7

About N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide

N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 177200241) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
PubChem CID177200241
Molecular FormulaC23H23N7O4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC NameN-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(OC)nc3)c2=O)nc2c(C(=O)NC3CCC3)onc12
InChIInChI=1S/C23H23N7O4/c1-24-16-11-17(28-20-19(16)29-34-21(20)22(31)26-13-5-3-6-13)27-15-7-4-10-30(23(15)32)14-8-9-18(33-2)25-12-14/h4,7-13,24H,3,5-6H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyFRFLWDMRSVECAC-UHFFFAOYSA-N
XLogP2.84
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200226
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[2-oxo-1-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200314
N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200182
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
[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
5-[[1-[(3R,4R)-3-fluoropiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200304
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 6-[3-[[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 176629530
6-[[1-(4-cyanophenyl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118139924
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[methyl-(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200192
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
tert-butyl (2S)-3-[4-[3-[[3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2]oxazolo[4,3-b]pyridin-5-yl]amino]-2-oxo-1-pyridinyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 177200327

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide (CID 177200241) is N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(OC)nc3)c2=O)nc2c(C(=O)NC3CCC3)onc12.
What is the InChIKey of N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is FRFLWDMRSVECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-24-16-11-17(28-20-19(16)29-34-21(20)22(31)26-13-5-3-6-13)27-15-7-4-10-30(23(15)32)14-8-9-18(33-2)25-12-14/h4,7-13,24H,3,5-6H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide?
N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[1-(6-methoxy-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 177200241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).