2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol

C23H21ClFN5O — CID 126531102

IUPAC2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30)
InChIKeyICBHKKQDLXKXRF-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.28
Rot. Bonds5

About 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol

2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol (PubChem CID 126531102) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
PubChem CID126531102
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC Name2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol
SMILESCC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F
InChIInChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30)
InChIKeyICBHKKQDLXKXRF-UHFFFAOYSA-N
XLogP5.28
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol 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-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol (CID 126531102) is 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol is CC(Nc1c(Cl)cnc2cnc(-c3cnc(C(C)(C)O)nc3)cc12)c1ccccc1F.
What is the InChIKey of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is ICBHKKQDLXKXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-13(15-6-4-5-7-18(15)25)30-21-16-8-19(27-12-20(16)26-11-17(21)24)14-9-28-22(29-10-14)23(2,3)31/h4-13,31H,1-3H3,(H,26,30).
What are the key properties of 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol?
2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 437.91 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]-1,7-naphthyridin-6-yl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 126531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).