2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

C26H30FN9O2 — CID 177381741

IUPAC2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CCOCC6)ncc5c4)n3)cn2)CC1
InChIInChI=1S/C26H30FN9O2/c27-22-16-28-25(31-20-15-30-36(17-20)21-3-5-34(6-4-21)7-10-37)33-24(22)18-1-2-23-19(13-18)14-29-26(32-23)35-8-11-38-12-9-35/h1-2,13-17,21,37H,3-12H2,(H,28,31,33)
InChIKeyAHQYMFOEOWUTJB-UHFFFAOYSA-N
MW519.59 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 177381741) has the molecular formula C26H30FN9O2 and a molecular weight of 519.59 g/mol. Its IUPAC name is 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID177381741
Molecular FormulaC26H30FN9O2
Molecular Weight519.59 g/mol
Exact Mass519.25
IUPAC Name2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CCOCC6)ncc5c4)n3)cn2)CC1
InChIInChI=1S/C26H30FN9O2/c27-22-16-28-25(31-20-15-30-36(17-20)21-3-5-34(6-4-21)7-10-37)33-24(22)18-1-2-23-19(13-18)14-29-26(32-23)35-8-11-38-12-9-35/h1-2,13-17,21,37H,3-12H2,(H,28,31,33)
InChIKeyAHQYMFOEOWUTJB-UHFFFAOYSA-N
XLogP2.63
TPSA117.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol 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-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol (CID 177381741) is 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is OCCN1CCC(n2cc(Nc3ncc(F)c(-c4ccc5nc(N6CCOCC6)ncc5c4)n3)cn2)CC1.
What is the InChIKey of 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is AHQYMFOEOWUTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN9O2/c27-22-16-28-25(31-20-15-30-36(17-20)21-3-5-34(6-4-21)7-10-37)33-24(22)18-1-2-23-19(13-18)14-29-26(32-23)35-8-11-38-12-9-35/h1-2,13-17,21,37H,3-12H2,(H,28,31,33).
What are the key properties of 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 519.59 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[5-fluoro-4-(2-morpholin-4-ylquinazolin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 177381741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).