5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C35H31F3N8O2 — CID 164534439

IUPAC5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(Nc5cnn(-c6ccncc6)c5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C35H31F3N8O2/c1-2-25-28(37)5-4-20-12-24(47)13-26(29(20)25)31-30(38)32-27(16-40-31)33(42-22-15-41-46(18-22)23-6-9-39-10-7-23)44-34(43-32)48-19-35-8-3-11-45(35)17-21(36)14-35/h4-7,9-10,12-13,15-16,18,21,47H,2-3,8,11,14,17,19H2,1H3,(H,42,43,44)/t21-,35+/m1/s1
InChIKeyLWUOKAONGGSOEQ-QGFSVNGOSA-N
MW652.68 g/mol
LogP6.67
Rot. Bonds8

About 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 164534439) has the molecular formula C35H31F3N8O2 and a molecular weight of 652.68 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID164534439
Molecular FormulaC35H31F3N8O2
Molecular Weight652.68 g/mol
Exact Mass652.25
IUPAC Name5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(Nc5cnn(-c6ccncc6)c5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C35H31F3N8O2/c1-2-25-28(37)5-4-20-12-24(47)13-26(29(20)25)31-30(38)32-27(16-40-31)33(42-22-15-41-46(18-22)23-6-9-39-10-7-23)44-34(43-32)48-19-35-8-3-11-45(35)17-21(36)14-35/h4-7,9-10,12-13,15-16,18,21,47H,2-3,8,11,14,17,19H2,1H3,(H,42,43,44)/t21-,35+/m1/s1
InChIKeyLWUOKAONGGSOEQ-QGFSVNGOSA-N
XLogP6.67
TPSA114.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.68
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-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 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 164534439) is 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(Nc5cnn(-c6ccncc6)c5)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.
What is the InChIKey of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is LWUOKAONGGSOEQ-QGFSVNGOSA-N. The full InChI is InChI=1S/C35H31F3N8O2/c1-2-25-28(37)5-4-20-12-24(47)13-26(29(20)25)31-30(38)32-27(16-40-31)33(42-22-15-41-46(18-22)23-6-9-39-10-7-23)44-34(43-32)48-19-35-8-3-11-45(35)17-21(36)14-35/h4-7,9-10,12-13,15-16,18,21,47H,2-3,8,11,14,17,19H2,1H3,(H,42,43,44)/t21-,35+/m1/s1.
What are the key properties of 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 652.68 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1-pyridin-4-ylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 164534439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).