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

C32H32ClFN4O4 — CID 157052472

IUPAC(4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H32ClFN4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-24(34)23(33)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
InChIKeyAAJGHBDLRGMETF-AJQTZOPKSA-N
MW591.08 g/mol
LogP6.06
Rot. Bonds9

About (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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 157052472) has the molecular formula C32H32ClFN4O4 and a molecular weight of 591.08 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one
PubChem CID157052472
Molecular FormulaC32H32ClFN4O4
Molecular Weight591.08 g/mol
Exact Mass590.21
IUPAC Name(4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H32ClFN4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-24(34)23(33)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
InChIKeyAAJGHBDLRGMETF-AJQTZOPKSA-N
XLogP6.06
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.08
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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

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Related Compounds

US11420976, Example 30
CID 156809842
US11420976, Example 55c
CID 156809965
US11420976, Example 55
CID 165436713
US11420976, Example 55d
CID 165436714
US11420976, Example 64
CID 165436722
US11420976, Example 66
CID 165436723
US11420976, Example 56
CID 165436715
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]-3-methoxy-4-pyrazol-1-ylbenzamide
CID 117924253
N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-3-pyrazol-1-ylpropyl]-8-methoxyquinoline-6-carboxamide
CID 117936596
N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 117936978
4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one
CID 149308450
(3R)-7-(3-chloro-4-fluorophenyl)-5-[1-cyclopropyl-1-hydroxy-2-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156236119

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(2-cyclopropyl-7-methoxyindazol-5-yl)-4-hydroxybutan-1-one (CID 157052472) is (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C3CC3)nc12.
What is the InChIKey of (4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-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 AAJGHBDLRGMETF-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H32ClFN4O4/c1-31(35)16-42-30-22(31)14-27(36-29(30)17-3-8-24(34)23(33)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-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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 591.08 g/mol, XLogP of 6.06, 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-chloro-4-fluorophenyl)-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 157052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).