6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H25FN8O3 — CID 53477414

IUPAC6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCO[C@@H]1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)n3)cn2)C1
InChIInChI=1S/C23H25FN8O3/c1-23(2)21(33)30-20-16(35-23)5-6-17(29-20)28-19-15(24)11-26-22(31-19)27-13-4-7-18(25-10-13)32-9-8-14(12-32)34-3/h4-7,10-11,14H,8-9,12H2,1-3H3,(H3,26,27,28,29,30,31,33)/t14-/m1/s1
InChIKeyRYMXNBYSVABIPZ-CQSZACIVSA-N
MW480.50 g/mol
LogP3.23
Rot. Bonds6

About 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 53477414) has the molecular formula C23H25FN8O3 and a molecular weight of 480.50 g/mol. Its IUPAC name is 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID53477414
Molecular FormulaC23H25FN8O3
Molecular Weight480.50 g/mol
Exact Mass480.20
IUPAC Name6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCO[C@@H]1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)n3)cn2)C1
InChIInChI=1S/C23H25FN8O3/c1-23(2)21(33)30-20-16(35-23)5-6-17(29-20)28-19-15(24)11-26-22(31-19)27-13-4-7-18(25-10-13)32-9-8-14(12-32)34-3/h4-7,10-11,14H,8-9,12H2,1-3H3,(H3,26,27,28,29,30,31,33)/t14-/m1/s1
InChIKeyRYMXNBYSVABIPZ-CQSZACIVSA-N
XLogP3.23
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049974
8-(4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049998
8-(3,5-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050047
8-(2,4-difluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050100
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055019
7-[[1-(Cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278474
7-[[1-(Cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278511
6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44527454
6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44528545
6-[[[(3S,4R)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644113
6-[[[(3R,4S)-3-fluoro-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644114

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 53477414) is 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CO[C@@H]1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)n3)cn2)C1.
What is the InChIKey of 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RYMXNBYSVABIPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25FN8O3/c1-23(2)21(33)30-20-16(35-23)5-6-17(29-20)28-19-15(24)11-26-22(31-19)27-13-4-7-18(25-10-13)32-9-8-14(12-32)34-3/h4-7,10-11,14H,8-9,12H2,1-3H3,(H3,26,27,28,29,30,31,33)/t14-/m1/s1.
What are the key properties of 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 480.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-[[6-[(3R)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 53477414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).