2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine

C26H28N6O — CID 177137303

IUPAC2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
SMILESCc1cc2c(-c3ccccc3)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C26H28N6O/c1-16-11-22-24(19-7-5-4-6-8-19)29-26(30-25(22)28-18(16)3)31-13-17(2)33-23(15-31)20-12-27-32(14-20)21-9-10-21/h4-8,11-12,14,17,21,23H,9-10,13,15H2,1-3H3
InChIKeyNPARJWBFMPYMDB-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.81
Rot. Bonds4

About 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine

2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine (PubChem CID 177137303) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
PubChem CID177137303
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
SMILESCc1cc2c(-c3ccccc3)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C26H28N6O/c1-16-11-22-24(19-7-5-4-6-8-19)29-26(30-25(22)28-18(16)3)31-13-17(2)33-23(15-31)20-12-27-32(14-20)21-9-10-21/h4-8,11-12,14,17,21,23H,9-10,13,15H2,1-3H3
InChIKeyNPARJWBFMPYMDB-UHFFFAOYSA-N
XLogP4.81
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine
CID 166121862
(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
methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 177137133
2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 177137237
4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 177137209
(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121712
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-methyl-7-propylpteridin-2-yl]-6-methylmorpholine
CID 166123073

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine (CID 177137303) is 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine is Cc1cc2c(-c3ccccc3)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine?
The InChIKey is NPARJWBFMPYMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-16-11-22-24(19-7-5-4-6-8-19)29-26(30-25(22)28-18(16)3)31-13-17(2)33-23(15-31)20-12-27-32(14-20)21-9-10-21/h4-8,11-12,14,17,21,23H,9-10,13,15H2,1-3H3.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine?
2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine has a molecular weight of 440.55 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine is sourced from PubChem (CID 177137303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).