1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C23H26N6O3 — CID 59333732

IUPAC1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1
InChIInChI=1S/C23H26N6O3/c1-15(30)29-9-8-20-19(13-29)22(25-11-18-3-2-10-31-18)28-23(27-20)26-17-6-4-16(5-7-17)21-12-24-14-32-21/h4-7,12,14,18H,2-3,8-11,13H2,1H3,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyMZLHTYMQWYQWDD-SFHVURJKSA-N
MW434.50 g/mol
LogP3.37
Rot. Bonds6

About 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 59333732) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID59333732
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1
InChIInChI=1S/C23H26N6O3/c1-15(30)29-9-8-20-19(13-29)22(25-11-18-3-2-10-31-18)28-23(27-20)26-17-6-4-16(5-7-17)21-12-24-14-32-21/h4-7,12,14,18H,2-3,8-11,13H2,1H3,(H2,25,26,27,28)/t18-/m0/s1
InChIKeyMZLHTYMQWYQWDD-SFHVURJKSA-N
XLogP3.37
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

2-[4-[ethyl(oxolan-2-ylmethyl)amino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol;2-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
CID 87389722
6-methyl-4-N-(oxan-4-ylmethyl)-2-N-[4-(1,3-oxazol-5-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 46199895
1-[4-[3-(1-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 91468168
tert-butyl 2-[4-(2-methylimidazol-1-yl)anilino]-4-(oxolan-2-ylmethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 67423223
1-[1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383057
2-[4-[[5-chloro-4-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 135260517
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 22459705
1-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-[2-(oxolan-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 59333752
6-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 95865280
1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812735
N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 95111490
methyl 4-[[5-(oxolan-2-ylmethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112944478

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 59333732) is 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1.
What is the InChIKey of 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is MZLHTYMQWYQWDD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15(30)29-9-8-20-19(13-29)22(25-11-18-3-2-10-31-18)28-23(27-20)26-17-6-4-16(5-7-17)21-12-24-14-32-21/h4-7,12,14,18H,2-3,8-11,13H2,1H3,(H2,25,26,27,28)/t18-/m0/s1.
What are the key properties of 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 434.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-oxazol-5-yl)anilino]-4-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 59333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).