1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine

C26H33FN6O2 — CID 59703461

IUPAC1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CN(C)C)c3)nc2n1
InChIInChI=1S/C26H33FN6O2/c1-17-15-34-11-9-32(17)25-21-6-8-23(19-5-7-22(27)20(13-19)14-31(3)4)28-24(21)29-26(30-25)33-10-12-35-16-18(33)2/h5-8,13,17-18H,9-12,14-16H2,1-4H3/t17-,18-/m0/s1
InChIKeySXFABJDLHRGUPO-ROUUACIJSA-N
MW480.59 g/mol
LogP3.34
Rot. Bonds5

About 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine

1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine (PubChem CID 59703461) has the molecular formula C26H33FN6O2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine
PubChem CID59703461
Molecular FormulaC26H33FN6O2
Molecular Weight480.59 g/mol
Exact Mass480.26
IUPAC Name1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CN(C)C)c3)nc2n1
InChIInChI=1S/C26H33FN6O2/c1-17-15-34-11-9-32(17)25-21-6-8-23(19-5-7-22(27)20(13-19)14-31(3)4)28-24(21)29-26(30-25)33-10-12-35-16-18(33)2/h5-8,13,17-18H,9-12,14-16H2,1-4H3/t17-,18-/m0/s1
InChIKeySXFABJDLHRGUPO-ROUUACIJSA-N
XLogP3.34
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine 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 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine (CID 59703461) is 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CN(C)C)c3)nc2n1.
What is the InChIKey of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine?
The InChIKey is SXFABJDLHRGUPO-ROUUACIJSA-N. The full InChI is InChI=1S/C26H33FN6O2/c1-17-15-34-11-9-32(17)25-21-6-8-23(19-5-7-22(27)20(13-19)14-31(3)4)28-24(21)29-26(30-25)33-10-12-35-16-18(33)2/h5-8,13,17-18H,9-12,14-16H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine?
1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine has a molecular weight of 480.59 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59703461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).