[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C24H22FN5O2 — CID 59703477

IUPAC[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESC[C@H]1COCCN1c1nc(-c2cccnc2F)nc2nc(-c3cccc(CO)c3)ccc12
InChIInChI=1S/C24H22FN5O2/c1-15-14-32-11-10-30(15)24-19-7-8-20(17-5-2-4-16(12-17)13-31)27-23(19)28-22(29-24)18-6-3-9-26-21(18)25/h2-9,12,15,31H,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyICYULYLAJKEABT-HNNXBMFYSA-N
MW431.47 g/mol
LogP3.61
Rot. Bonds4

About [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 59703477) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID59703477
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESC[C@H]1COCCN1c1nc(-c2cccnc2F)nc2nc(-c3cccc(CO)c3)ccc12
InChIInChI=1S/C24H22FN5O2/c1-15-14-32-11-10-30(15)24-19-7-8-20(17-5-2-4-16(12-17)13-31)27-23(19)28-22(29-24)18-6-3-9-26-21(18)25/h2-9,12,15,31H,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyICYULYLAJKEABT-HNNXBMFYSA-N
XLogP3.61
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 59703477) is [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is C[C@H]1COCCN1c1nc(-c2cccnc2F)nc2nc(-c3cccc(CO)c3)ccc12.
What is the InChIKey of [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is ICYULYLAJKEABT-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-14-32-11-10-30(15)24-19-7-8-20(17-5-2-4-16(12-17)13-31)27-23(19)28-22(29-24)18-6-3-9-26-21(18)25/h2-9,12,15,31H,10-11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 431.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluoro-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 59703477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).