4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile

C25H29N7O — CID 177137209

IUPAC4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCCC3)c2cc1C#N
InChIInChI=1S/C25H29N7O/c1-15-12-31(14-22(33-15)19-11-27-32(13-19)20-7-8-20)25-29-23(17-5-3-4-6-17)21-9-18(10-26)16(2)28-24(21)30-25/h9,11,13,15,17,20,22H,3-8,12,14H2,1-2H3/t15-,22-/m1/s1
InChIKeyLLMZNAFCOIVHIR-IVZQSRNASA-N
MW443.56 g/mol
LogP4.36
Rot. Bonds4

About 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile

4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 177137209) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID177137209
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCCC3)c2cc1C#N
InChIInChI=1S/C25H29N7O/c1-15-12-31(14-22(33-15)19-11-27-32(13-19)20-7-8-20)25-29-23(17-5-3-4-6-17)21-9-18(10-26)16(2)28-24(21)30-25/h9,11,13,15,17,20,22H,3-8,12,14H2,1-2H3/t15-,22-/m1/s1
InChIKeyLLMZNAFCOIVHIR-IVZQSRNASA-N
XLogP4.36
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121712
2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
CID 177137303
2-[2-[(E)-1-amino-3-cyclopropyliminoprop-1-en-2-yl]-6-methylmorpholin-4-yl]-4-cyclopentyl-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 177137281
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
CID 166121638
(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine
CID 166121862
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121672
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 157045293
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile (CID 177137209) is 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile is Cc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CCCC3)c2cc1C#N.
What is the InChIKey of 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is LLMZNAFCOIVHIR-IVZQSRNASA-N. The full InChI is InChI=1S/C25H29N7O/c1-15-12-31(14-22(33-15)19-11-27-32(13-19)20-7-8-20)25-29-23(17-5-3-4-6-17)21-9-18(10-26)16(2)28-24(21)30-25/h9,11,13,15,17,20,22H,3-8,12,14H2,1-2H3/t15-,22-/m1/s1.
What are the key properties of 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile?
4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 443.56 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 177137209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).