(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one

C32H32F2N4O4 — CID 161219644

IUPAC(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(F)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H32F2N4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-23(33)24(34)12-17)32(40,20-4-5-20)10-9-25(39)18-11-19-15-38(21-6-7-21)37-28(19)26(13-18)41-2/h3,8,11-15,20-21,40H,4-7,9-10,16,35H2,1-2H3/t31-,32+/m0/s1
InChIKeyUXIKJVLESVNSIU-AJQTZOPKSA-N
MW574.63 g/mol
LogP5.55
Rot. Bonds9

About (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one

(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one (PubChem CID 161219644) has the molecular formula C32H32F2N4O4 and a molecular weight of 574.63 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one
PubChem CID161219644
Molecular FormulaC32H32F2N4O4
Molecular Weight574.63 g/mol
Exact Mass574.24
IUPAC Name(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(F)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H32F2N4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-23(33)24(34)12-17)32(40,20-4-5-20)10-9-25(39)18-11-19-15-38(21-6-7-21)37-28(19)26(13-18)41-2/h3,8,11-15,20-21,40H,4-7,9-10,16,35H2,1-2H3/t31-,32+/m0/s1
InChIKeyUXIKJVLESVNSIU-AJQTZOPKSA-N
XLogP5.55
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.63
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one 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 (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one?
The IUPAC name of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one (CID 161219644) is (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one?
The canonical SMILES for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(F)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12.
What is the InChIKey of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one?
The InChIKey is UXIKJVLESVNSIU-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H32F2N4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-23(33)24(34)12-17)32(40,20-4-5-20)10-9-25(39)18-11-19-15-38(21-6-7-21)37-28(19)26(13-18)41-2/h3,8,11-15,20-21,40H,4-7,9-10,16,35H2,1-2H3/t31-,32+/m0/s1.
What are the key properties of (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one?
(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one has a molecular weight of 574.63 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 161219644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).