[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol

C20H19ClF2N4O3 — CID 144519551

IUPAC[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc(OC(F)F)c(CO)c3)ccc12
InChIInChI=1S/C20H19ClF2N4O3/c1-11-10-29-7-6-27(11)18-14-3-4-15(24-17(14)25-19(21)26-18)12-2-5-16(30-20(22)23)13(8-12)9-28/h2-5,8,11,20,28H,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyLQTLKWPHBHPLLS-NSHDSACASA-N
MW436.85 g/mol
LogP3.66
Rot. Bonds5

About [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol

[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol (PubChem CID 144519551) has the molecular formula C20H19ClF2N4O3 and a molecular weight of 436.85 g/mol. Its IUPAC name is [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol
PubChem CID144519551
Molecular FormulaC20H19ClF2N4O3
Molecular Weight436.85 g/mol
Exact Mass436.11
IUPAC Name[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc(OC(F)F)c(CO)c3)ccc12
InChIInChI=1S/C20H19ClF2N4O3/c1-11-10-29-7-6-27(11)18-14-3-4-15(24-17(14)25-19(21)26-18)12-2-5-16(30-20(22)23)13(8-12)9-28/h2-5,8,11,20,28H,6-7,9-10H2,1H3/t11-/m0/s1
InChIKeyLQTLKWPHBHPLLS-NSHDSACASA-N
XLogP3.66
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999109
5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzoic acid
CID 155131203
[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
CID 126601800
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999738
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25000369
[5-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol;but-2-enedioic acid
CID 75044641
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(oxan-4-yloxy)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71493789
[2-methoxy-5-[2-[(3R)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 146626004
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25002020
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
CID 144519586
(3S)-4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703467
4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 66673591

Frequently Asked Questions

What is the IUPAC name of [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol (CID 144519551) is [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol is C[C@H]1COCCN1c1nc(Cl)nc2nc(-c3ccc(OC(F)F)c(CO)c3)ccc12.
What is the InChIKey of [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol?
The InChIKey is LQTLKWPHBHPLLS-NSHDSACASA-N. The full InChI is InChI=1S/C20H19ClF2N4O3/c1-11-10-29-7-6-27(11)18-14-3-4-15(24-17(14)25-19(21)26-18)12-2-5-16(30-20(22)23)13(8-12)9-28/h2-5,8,11,20,28H,6-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol?
[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol has a molecular weight of 436.85 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 144519551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).