[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C25H32N6O3 — CID 24999737

IUPAC[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCN(C)CC4)nc3n2)cc1CO
InChIInChI=1S/C25H32N6O3/c1-17-16-34-13-12-31(17)24-20-5-6-21(18-4-7-22(33-3)19(14-18)15-32)26-23(20)27-25(28-24)30-10-8-29(2)9-11-30/h4-7,14,17,32H,8-13,15-16H2,1-3H3/t17-/m0/s1
InChIKeyXNSYUZDNEFRBTM-KRWDZBQOSA-N
MW464.57 g/mol
LogP2.17
Rot. Bonds5

About [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 24999737) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID24999737
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCN(C)CC4)nc3n2)cc1CO
InChIInChI=1S/C25H32N6O3/c1-17-16-34-13-12-31(17)24-20-5-6-21(18-4-7-22(33-3)19(14-18)15-32)26-23(20)27-25(28-24)30-10-8-29(2)9-11-30/h4-7,14,17,32H,8-13,15-16H2,1-3H3/t17-/m0/s1
InChIKeyXNSYUZDNEFRBTM-KRWDZBQOSA-N
XLogP2.17
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 24999737) is [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCN(C)CC4)nc3n2)cc1CO.
What is the InChIKey of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is XNSYUZDNEFRBTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-16-34-13-12-31(17)24-20-5-6-21(18-4-7-22(33-3)19(14-18)15-32)26-23(20)27-25(28-24)30-10-8-29(2)9-11-30/h4-7,14,17,32H,8-13,15-16H2,1-3H3/t17-/m0/s1.
What are the key properties of [2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 464.57 g/mol, XLogP of 2.17, 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-[(3S)-3-methylmorpholin-4-yl]-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 24999737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).