8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

C25H25ClFN7O2 — CID 168887474

IUPAC8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2c(=O)n1C
InChIInChI=1S/C25H25ClFN7O2/c1-13-10-33(12-20(36-13)15-9-28-34(11-15)17-5-6-17)25-30-21(18-7-4-16(26)8-19(18)27)22-23(31-25)24(35)32(3)14(2)29-22/h4,7-9,11,13,17,20H,5-6,10,12H2,1-3H3/t13-,20+/m1/s1
InChIKeyKAMGWUGQDNNZQJ-XCLFUZPHSA-N
MW509.97 g/mol
LogP3.99
Rot. Bonds4

About 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (PubChem CID 168887474) has the molecular formula C25H25ClFN7O2 and a molecular weight of 509.97 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
PubChem CID168887474
Molecular FormulaC25H25ClFN7O2
Molecular Weight509.97 g/mol
Exact Mass509.17
IUPAC Name8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2c(=O)n1C
InChIInChI=1S/C25H25ClFN7O2/c1-13-10-33(12-20(36-13)15-9-28-34(11-15)17-5-6-17)25-30-21(18-7-4-16(26)8-19(18)27)22-23(31-25)24(35)32(3)14(2)29-22/h4,7-9,11,13,17,20H,5-6,10,12H2,1-3H3/t13-,20+/m1/s1
InChIKeyKAMGWUGQDNNZQJ-XCLFUZPHSA-N
XLogP3.99
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
4-(4-chloro-2-fluorophenyl)-2-[(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-ethylpyrimido[4,5-d]pyridazin-8-one
CID 168887556
6-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-8-(2,4-difluorophenyl)-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 170711577
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711597
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
4-(4-chloro-2-fluorophenyl)-2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7H-pyrimido[4,5-d]pyridazin-8-one
CID 170182312
4-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2-cyclopropyl-6-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-7-methylpyrimido[4,5-d]pyridazin-8-one
CID 168887422
tert-butyl 3-[4-[4-[8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-4-oxopyrimido[5,4-d]pyrimidin-6-yl]morpholin-2-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 170711832
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
(2R,6S)-4-[8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166122080
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-methyl-6-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830352

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (CID 168887474) is 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2c(=O)n1C.
What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is KAMGWUGQDNNZQJ-XCLFUZPHSA-N. The full InChI is InChI=1S/C25H25ClFN7O2/c1-13-10-33(12-20(36-13)15-9-28-34(11-15)17-5-6-17)25-30-21(18-7-4-16(26)8-19(18)27)22-23(31-25)24(35)32(3)14(2)29-22/h4,7-9,11,13,17,20H,5-6,10,12H2,1-3H3/t13-,20+/m1/s1.
What are the key properties of 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 509.97 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 168887474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).