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

C32H32F2N4O4 — CID 161220087

IUPAC(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
SMILESCn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)c(F)c5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1
InChIInChI=1S/C32H32F2N4O4/c1-31(35)16-41-30-22(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(2)37-28(19)26(13-18)42-21-6-7-21/h3,8,11-15,20-21,40H,4-7,9-10,16,35H2,1-2H3/t31-,32+/m0/s1
InChIKeyUXJSLDVTWICPCG-AJQTZOPKSA-N
MW574.63 g/mol
LogP5.28
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-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one (PubChem CID 161220087) 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-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
PubChem CID161220087
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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
SMILESCn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)c(F)c5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1
InChIInChI=1S/C32H32F2N4O4/c1-31(35)16-41-30-22(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(2)37-28(19)26(13-18)42-21-6-7-21/h3,8,11-15,20-21,40H,4-7,9-10,16,35H2,1-2H3/t31-,32+/m0/s1
InChIKeyUXJSLDVTWICPCG-AJQTZOPKSA-N
XLogP5.28
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 ≤ 55.28
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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one with MolForge

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Related Compounds

(4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
CID 157050634
(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
CID 167626501
(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167532212
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167555517
(3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167705611
4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one
CID 157444092
N-[(2S)-2-[(3R)-3-[amino-[(Z)-2-aminoethenyl]amino]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-7-methoxy-2-methylindazole-5-carboxamide
CID 167024177
(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167621611
(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167653808
(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
CID 160784339
(3R)-5-[(2S)-5-(3,4-dicyclopropyloxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167701378

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-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one (CID 161220087) is (4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one is Cn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)c(F)c5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1.
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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one?
The InChIKey is UXJSLDVTWICPCG-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H32F2N4O4/c1-31(35)16-41-30-22(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(2)37-28(19)26(13-18)42-21-6-7-21/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-(7-cyclopropyloxy-2-methylindazol-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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one has a molecular weight of 574.63 g/mol, XLogP of 5.28, 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-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 161220087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).