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(4R)-4-[(3R)-3-amino-7-(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

C32H33FN4O4 — CID 158624502

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4R)-4-[(3R)-3-amino-7-(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
SMILESCn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1
InChIInChI=1S/C32H33FN4O4/c1-31(34)17-40-30-24(31)15-27(35-29(30)18-3-7-22(33)8-4-18)32(39,21-5-6-21)12-11-25(38)19-13-20-16-37(2)36-28(20)26(14-19)41-23-9-10-23/h3-4,7-8,13-16,21,23,39H,5-6,9-12,17,34H2,1-2H3/t31-,32+/m0/s1
InChIKeyHYKNMQCMHBXTKZ-AJQTZOPKSA-N
MW556.64 g/mol
LogP5.14
Rot. Bonds9

About (4R)-4-[(3R)-3-amino-7-(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

(4R)-4-[(3R)-3-amino-7-(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 (PubChem CID 158624502) has the molecular formula C32H33FN4O4 and a molecular weight of 556.64 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-7-(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.

Molecular Properties

Compound Name(4R)-4-[(3R)-3-amino-7-(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
PubChem CID158624502
Molecular FormulaC32H33FN4O4
Molecular Weight556.64 g/mol
Exact Mass556.25
IUPAC Name(4R)-4-[(3R)-3-amino-7-(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
SMILESCn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1
InChIInChI=1S/C32H33FN4O4/c1-31(34)17-40-30-24(31)15-27(35-29(30)18-3-7-22(33)8-4-18)32(39,21-5-6-21)12-11-25(38)19-13-20-16-37(2)36-28(20)26(14-19)41-23-9-10-23/h3-4,7-8,13-16,21,23,39H,5-6,9-12,17,34H2,1-2H3/t31-,32+/m0/s1
InChIKeyHYKNMQCMHBXTKZ-AJQTZOPKSA-N
XLogP5.14
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.64
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(3R)-3-amino-7-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3R)-3-amino-7-(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?
The IUPAC name of (4R)-4-[(3R)-3-amino-7-(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 158624502) is (4R)-4-[(3R)-3-amino-7-(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.
What is the SMILES notation for (4R)-4-[(3R)-3-amino-7-(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?
The canonical SMILES for (4R)-4-[(3R)-3-amino-7-(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 is Cn1cc2cc(C(=O)CC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)N)C3CC3)cc(OC3CC3)c2n1.
What is the InChIKey of (4R)-4-[(3R)-3-amino-7-(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?
The InChIKey is HYKNMQCMHBXTKZ-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H33FN4O4/c1-31(34)17-40-30-24(31)15-27(35-29(30)18-3-7-22(33)8-4-18)32(39,21-5-6-21)12-11-25(38)19-13-20-16-37(2)36-28(20)26(14-19)41-23-9-10-23/h3-4,7-8,13-16,21,23,39H,5-6,9-12,17,34H2,1-2H3/t31-,32+/m0/s1.
What are the key properties of (4R)-4-[(3R)-3-amino-7-(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?
(4R)-4-[(3R)-3-amino-7-(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 has a molecular weight of 556.64 g/mol, XLogP of 5.14, 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-(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 is sourced from PubChem (CID 158624502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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