1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one

C25H24F2N6O2 — CID 177151489

IUPAC1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one
SMILESCn1cc([C@H]2CN(c3cc4nc5c(c(=O)n4c(-c4ccc(F)cc4F)n3)CCCC5)CCO2)cn1
InChIInChI=1S/C25H24F2N6O2/c1-31-13-15(12-28-31)21-14-32(8-9-35-21)22-11-23-29-20-5-3-2-4-18(20)25(34)33(23)24(30-22)17-7-6-16(26)10-19(17)27/h6-7,10-13,21H,2-5,8-9,14H2,1H3/t21-/m1/s1
InChIKeyZVXZSYKXPZEZHQ-OAQYLSRUSA-N
MW478.50 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one

1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one (PubChem CID 177151489) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one
PubChem CID177151489
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one
SMILESCn1cc([C@H]2CN(c3cc4nc5c(c(=O)n4c(-c4ccc(F)cc4F)n3)CCCC5)CCO2)cn1
InChIInChI=1S/C25H24F2N6O2/c1-31-13-15(12-28-31)21-14-32(8-9-35-21)22-11-23-29-20-5-3-2-4-18(20)25(34)33(23)24(30-22)17-7-6-16(26)10-19(17)27/h6-7,10-13,21H,2-5,8-9,14H2,1H3/t21-/m1/s1
InChIKeyZVXZSYKXPZEZHQ-OAQYLSRUSA-N
XLogP3.22
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one with MolForge

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Related Compounds

13-(2-fluoro-4-methylphenyl)-11-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152250
2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 174162995
11-chloro-13-(2,4-difluorophenyl)-1,8,12-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177151527
6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 176675592
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777
8-(2-chloro-4-fluorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711645
5-(4-chloro-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504
13-(4-chloro-2-fluorophenyl)-4,4-difluoro-11-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151814
9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
CID 177152230
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174185344
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
CID 166830553

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one (CID 177151489) is 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one is Cn1cc([C@H]2CN(c3cc4nc5c(c(=O)n4c(-c4ccc(F)cc4F)n3)CCCC5)CCO2)cn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one?
The InChIKey is ZVXZSYKXPZEZHQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-31-13-15(12-28-31)21-14-32(8-9-35-21)22-11-23-29-20-5-3-2-4-18(20)25(34)33(23)24(30-22)17-7-6-16(26)10-19(17)27/h6-7,10-13,21H,2-5,8-9,14H2,1H3/t21-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one?
1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one has a molecular weight of 478.50 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one is sourced from PubChem (CID 177151489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).