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

C23H28FN7O4 — CID 177200304

IUPAC5-[[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
SMILESCNc1cc(Nc2cccn([C@@H]3CCNC[C@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C23H28FN7O4/c1-25-15-10-18(27-14-4-3-9-31(23(14)33)16-7-8-26-11-12(16)24)29-20-19(15)30-35-21(20)22(32)28-13-5-6-17(13)34-2/h3-4,9-10,12-13,16-17,25-26H,5-8,11H2,1-2H3,(H,27,29)(H,28,32)/t12-,13-,16-,17-/m1/s1
InChIKeyWLPIHYIXLLLBHB-BQGCOEIASA-N
MW485.52 g/mol
LogP1.95
Rot. Bonds7

About 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

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 (PubChem CID 177200304) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID177200304
Molecular FormulaC23H28FN7O4
Molecular Weight485.52 g/mol
Exact Mass485.22
IUPAC Name5-[[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
SMILESCNc1cc(Nc2cccn([C@@H]3CCNC[C@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C23H28FN7O4/c1-25-15-10-18(27-14-4-3-9-31(23(14)33)16-7-8-26-11-12(16)24)29-20-19(15)30-35-21(20)22(32)28-13-5-6-17(13)34-2/h3-4,9-10,12-13,16-17,25-26H,5-8,11H2,1-2H3,(H,27,29)(H,28,32)/t12-,13-,16-,17-/m1/s1
InChIKeyWLPIHYIXLLLBHB-BQGCOEIASA-N
XLogP1.95
TPSA135.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[(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-(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
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
[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
N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835
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
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(Nc2cccn([C@@H]3CCNC[C@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12.
What is the InChIKey of 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?
The InChIKey is WLPIHYIXLLLBHB-BQGCOEIASA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-25-15-10-18(27-14-4-3-9-31(23(14)33)16-7-8-26-11-12(16)24)29-20-19(15)30-35-21(20)22(32)28-13-5-6-17(13)34-2/h3-4,9-10,12-13,16-17,25-26H,5-8,11H2,1-2H3,(H,27,29)(H,28,32)/t12-,13-,16-,17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 485.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177200304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).