4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

C25H30ClN5O3 — CID 66673591

IUPAC4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CCl
InChIInChI=1S/C25H30ClN5O3/c1-16-14-33-10-8-30(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-26)27-23(20)28-25(29-24)31-9-11-34-15-17(31)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3
InChIKeyVVELAXPWRXZYFI-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.89
Rot. Bonds5

About 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine

4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 66673591) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID66673591
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CCl
InChIInChI=1S/C25H30ClN5O3/c1-16-14-33-10-8-30(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-26)27-23(20)28-25(29-24)31-9-11-34-15-17(31)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3
InChIKeyVVELAXPWRXZYFI-UHFFFAOYSA-N
XLogP3.89
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703467
[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
[2-methoxy-5-[2-[(3R)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 146626004
[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-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999738
[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999109
[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
1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidin-3-ol
CID 25000729
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide
CID 57441947
2-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]-2-hydroxy-1,3-dioxepine-4,7-dione
CID 140545209
(3S)-4-[7-(4-fluorophenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441858
ethyl 1-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 25001384

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 66673591) is 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4C)nc3n2)cc1CCl.
What is the InChIKey of 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is VVELAXPWRXZYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-16-14-33-10-8-30(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-26)27-23(20)28-25(29-24)31-9-11-34-15-17(31)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3.
What are the key properties of 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine?
4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 484.00 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(chloromethyl)-4-methoxyphenyl]-2-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 66673591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).