N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide

C26H31FN6O3 — CID 25001066

IUPACN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1F
InChIInChI=1S/C26H31FN6O3/c1-16-14-35-10-8-32(16)25-21-5-7-23(19-4-6-22(27)20(12-19)13-28-18(3)34)29-24(21)30-26(31-25)33-9-11-36-15-17(33)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3,(H,28,34)/t16-,17-/m0/s1
InChIKeyZYIRPOVWMLXYSJ-IRXDYDNUSA-N
MW494.57 g/mol
LogP2.92
Rot. Bonds5

About N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide (PubChem CID 25001066) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide
PubChem CID25001066
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1F
InChIInChI=1S/C26H31FN6O3/c1-16-14-35-10-8-32(16)25-21-5-7-23(19-4-6-22(27)20(12-19)13-28-18(3)34)29-24(21)30-26(31-25)33-9-11-36-15-17(33)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3,(H,28,34)/t16-,17-/m0/s1
InChIKeyZYIRPOVWMLXYSJ-IRXDYDNUSA-N
XLogP2.92
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide?
The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide (CID 25001066) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide?
The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide is CC(=O)NCc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1F.
What is the InChIKey of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide?
The InChIKey is ZYIRPOVWMLXYSJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-16-14-35-10-8-32(16)25-21-5-7-23(19-4-6-22(27)20(12-19)13-28-18(3)34)29-24(21)30-26(31-25)33-9-11-36-15-17(33)2/h4-7,12,16-17H,8-11,13-15H2,1-3H3,(H,28,34)/t16-,17-/m0/s1.
What are the key properties of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide?
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 25001066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).