7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

C24H28FN5O2 — CID 66958997

IUPAC7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2F)CC1
InChIInChI=1S/C24H28FN5O2/c1-29-8-5-15(6-9-29)18-4-3-16(11-19(18)25)20-12-21-22(24(31)30(2)14-26-21)23(28-20)27-17-7-10-32-13-17/h3-4,11-12,14-15,17H,5-10,13H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyLQDYHRHECGNENJ-QGZVFWFLSA-N
MW437.52 g/mol
LogP3.14
Rot. Bonds4

About 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one

7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958997) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958997
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2F)CC1
InChIInChI=1S/C24H28FN5O2/c1-29-8-5-15(6-9-29)18-4-3-16(11-19(18)25)20-12-21-22(24(31)30(2)14-26-21)23(28-20)27-17-7-10-32-13-17/h3-4,11-12,14-15,17H,5-10,13H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyLQDYHRHECGNENJ-QGZVFWFLSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313
N-[3-(difluoromethyl)phenyl]-3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylbenzamide
CID 117609639
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-1,8-naphthyridin-4(1H)-on-3-carboxamide
CID 10091426
7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 155521232
3-methyl-7-(4-methylphenyl)-5-[[(3S)-piperidin-3-yl]methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 155544000

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one (CID 66958997) is 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2F)CC1.
What is the InChIKey of 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LQDYHRHECGNENJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-29-8-5-15(6-9-29)18-4-3-16(11-19(18)25)20-12-21-22(24(31)30(2)14-26-21)23(28-20)27-17-7-10-32-13-17/h3-4,11-12,14-15,17H,5-10,13H2,1-2H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one?
7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 437.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).