1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

C25H25N5O4 — CID 166707860

IUPAC1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESCC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cnc4c(c3)NC(CO)CO4)cc21
InChIInChI=1S/C25H25N5O4/c1-14-19-9-23(29-15-7-21-25(27-10-15)33-13-16(12-31)28-21)26-11-20(19)18-5-4-17(8-22(18)34-14)30-6-2-3-24(30)32/h4-5,7-11,14,16,28,31H,2-3,6,12-13H2,1H3,(H,26,29)
InChIKeyXSVVNNBJVRBORW-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.63
Rot. Bonds4

About 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one

1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (PubChem CID 166707860) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
PubChem CID166707860
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
SMILESCC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cnc4c(c3)NC(CO)CO4)cc21
InChIInChI=1S/C25H25N5O4/c1-14-19-9-23(29-15-7-21-25(27-10-15)33-13-16(12-31)28-21)26-11-20(19)18-5-4-17(8-22(18)34-14)30-6-2-3-24(30)32/h4-5,7-11,14,16,28,31H,2-3,6,12-13H2,1H3,(H,26,29)
InChIKeyXSVVNNBJVRBORW-UHFFFAOYSA-N
XLogP3.63
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5S)-3-[(5-amino-3-pyridinyl)amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 155225587
1-[5-methyl-3-[[1-(2-methylpropanoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 142612084
1-[5-methyl-3-(pyridazin-3-ylamino)-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one
CID 142612064
1-(3-amino-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142611989
1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
CID 142612116
1-[4-[4-cyclopropyl-6-[[(6S)-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 166787996
(8aR)-3-(methylideneamino)-4-[(E)-2-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]prop-1-enyl]-1,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-6-one
CID 166717050
(6S)-12-[[9-fluoro-5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-4,4-dimethyl-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-3-one
CID 142612038
(6S)-12-[[4-methyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]spiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-4,1'-cyclopropane]-3-one
CID 142612713
1-(5-methyl-4-pyridin-4-yl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142612210
(6S)-12-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yl-2-pyridinyl]amino]spiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-4,1'-cyclopropane]-3-one
CID 142612715
(6S)-12-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazin-2-yl]amino]-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-3-one
CID 142612466

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one (CID 166707860) is 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is CC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cnc4c(c3)NC(CO)CO4)cc21.
What is the InChIKey of 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
The InChIKey is XSVVNNBJVRBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-14-19-9-23(29-15-7-21-25(27-10-15)33-13-16(12-31)28-21)26-11-20(19)18-5-4-17(8-22(18)34-14)30-6-2-3-24(30)32/h4-5,7-11,14,16,28,31H,2-3,6,12-13H2,1H3,(H,26,29).
What are the key properties of 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one?
1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one has a molecular weight of 459.51 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(hydroxymethyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]amino]-5-methyl-5H-chromeno[4,3-c]pyridin-8-yl]pyrrolidin-2-one is sourced from PubChem (CID 166707860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).