[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C25H29N5O4 — CID 71731490

IUPAC[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C5CCC4COC5)nc3n2)cc1CO
InChIInChI=1S/C25H29N5O4/c1-32-22-7-2-16(12-17(22)13-31)21-6-5-20-23(26-21)27-25(28-24(20)29-8-10-33-11-9-29)30-18-3-4-19(30)15-34-14-18/h2,5-7,12,18-19,31H,3-4,8-11,13-15H2,1H3
InChIKeyXXSIFYJRCMWAJI-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.40
Rot. Bonds5

About [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 71731490) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID71731490
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C5CCC4COC5)nc3n2)cc1CO
InChIInChI=1S/C25H29N5O4/c1-32-22-7-2-16(12-17(22)13-31)21-6-5-20-23(26-21)27-25(28-24(20)29-8-10-33-11-9-29)30-18-3-4-19(30)15-34-14-18/h2,5-7,12,18-19,31H,3-4,8-11,13-15H2,1H3
InChIKeyXXSIFYJRCMWAJI-UHFFFAOYSA-N
XLogP2.40
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 71731490) is [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C5CCC4COC5)nc3n2)cc1CO.
What is the InChIKey of [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is XXSIFYJRCMWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-32-22-7-2-16(12-17(22)13-31)21-6-5-20-23(26-21)27-25(28-24(20)29-8-10-33-11-9-29)30-18-3-4-19(30)15-34-14-18/h2,5-7,12,18-19,31H,3-4,8-11,13-15H2,1H3.
What are the key properties of [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 463.54 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 71731490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).