2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one

C45H34F3N5O3 — CID 155012576

IUPAC2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESCC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c(F)c2)c2c(N)cncc21
InChIInChI=1S/C45H34F3N5O3/c1-26(45-39(29-14-8-15-31(46)20-29)44(54)40-33(47)16-9-17-38(40)56-45)53-36-23-50-22-35(49)41(36)42(51-53)30-18-19-37(34(48)21-30)55-32-24-52(25-32)43(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-23,26,32,43H,24-25,49H2,1H3
InChIKeySREYUWWAFRYAAO-UHFFFAOYSA-N
MW749.79 g/mol
LogP9.33
Rot. Bonds9

About 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one

2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one (PubChem CID 155012576) has the molecular formula C45H34F3N5O3 and a molecular weight of 749.79 g/mol. Its IUPAC name is 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
PubChem CID155012576
Molecular FormulaC45H34F3N5O3
Molecular Weight749.79 g/mol
Exact Mass749.26
IUPAC Name2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
SMILESCC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c(F)c2)c2c(N)cncc21
InChIInChI=1S/C45H34F3N5O3/c1-26(45-39(29-14-8-15-31(46)20-29)44(54)40-33(47)16-9-17-38(40)56-45)53-36-23-50-22-35(49)41(36)42(51-53)30-18-19-37(34(48)21-30)55-32-24-52(25-32)43(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-23,26,32,43H,24-25,49H2,1H3
InChIKeySREYUWWAFRYAAO-UHFFFAOYSA-N
XLogP9.33
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.79
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20260028328, Example 136
CID 170733813
US20260028328, Example 162
CID 174174715
US20260028328, Example 161
CID 174174758
US20260028328, Example 159
CID 174174765
US20260028328, Example 153
CID 174174782
US20260028328, Example 164
CID 174174848
US20260028328, Example 169
CID 176245478
2-{[(4-Fluorophenyl)methyl]oxy}-5-{1-[2-(methyloxy)ethyl]-1H-pyrazol-4-yl}-N-3-pyridinylbenzamide
CID 67107897
2-[1-[4-Amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 71466109
2-[1-[4-Amino-3-[3-fluoro-4-[1-[iodo(diphenyl)methyl]azetidin-3-yl]oxyphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 138683103
2-[1-[4-Amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 140275556
2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one
CID 140275557

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The IUPAC name of 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one (CID 155012576) is 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one.
What is the SMILES notation for 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The canonical SMILES for 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one is CC(c1oc2cccc(F)c2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC3CN(C(c4ccccc4)c4ccccc4)C3)c(F)c2)c2c(N)cncc21.
What is the InChIKey of 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
The InChIKey is SREYUWWAFRYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34F3N5O3/c1-26(45-39(29-14-8-15-31(46)20-29)44(54)40-33(47)16-9-17-38(40)56-45)53-36-23-50-22-35(49)41(36)42(51-53)30-18-19-37(34(48)21-30)55-32-24-52(25-32)43(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-23,26,32,43H,24-25,49H2,1H3.
What are the key properties of 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one?
2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one has a molecular weight of 749.79 g/mol, XLogP of 9.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-3-[4-(1-benzhydrylazetidin-3-yl)oxy-3-fluorophenyl]pyrazolo[3,4-c]pyridin-1-yl]ethyl]-5-fluoro-3-(3-fluorophenyl)chromen-4-one is sourced from PubChem (CID 155012576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).