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

C24H30FN7O4 — CID 177200043

IUPAC5-[[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
SMILESCNc1cc(Nc2cccn(C3CCN(C)C[C@@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C24H30FN7O4/c1-26-16-11-19(27-15-5-4-9-32(24(15)34)17-8-10-31(2)12-13(17)25)29-21-20(16)30-36-22(21)23(33)28-14-6-7-18(14)35-3/h4-5,9,11,13-14,17-18,26H,6-8,10,12H2,1-3H3,(H,27,29)(H,28,33)/t13-,14+,17?,18+/m0/s1
InChIKeyGTOLOAIJLJKHAL-FLYGMOQUSA-N
MW499.55 g/mol
LogP2.29
Rot. Bonds7

About 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

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 (PubChem CID 177200043) has the molecular formula C24H30FN7O4 and a molecular weight of 499.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID177200043
Molecular FormulaC24H30FN7O4
Molecular Weight499.55 g/mol
Exact Mass499.23
IUPAC Name5-[[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
SMILESCNc1cc(Nc2cccn(C3CCN(C)C[C@@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12
InChIInChI=1S/C24H30FN7O4/c1-26-16-11-19(27-15-5-4-9-32(24(15)34)17-8-10-31(2)12-13(17)25)29-21-20(16)30-36-22(21)23(33)28-14-6-7-18(14)35-3/h4-5,9,11,13-14,17-18,26H,6-8,10,12H2,1-3H3,(H,27,29)(H,28,33)/t13-,14+,17?,18+/m0/s1
InChIKeyGTOLOAIJLJKHAL-FLYGMOQUSA-N
XLogP2.29
TPSA126.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(Nc2cccn(C3CCN(C)C[C@@H]3F)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)onc12.
What is the InChIKey of 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?
The InChIKey is GTOLOAIJLJKHAL-FLYGMOQUSA-N. The full InChI is InChI=1S/C24H30FN7O4/c1-26-16-11-19(27-15-5-4-9-32(24(15)34)17-8-10-31(2)12-13(17)25)29-21-20(16)30-36-22(21)23(33)28-14-6-7-18(14)35-3/h4-5,9,11,13-14,17-18,26H,6-8,10,12H2,1-3H3,(H,27,29)(H,28,33)/t13-,14+,17?,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 499.55 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177200043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).