(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

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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Related Compounds

US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 55c
CID 156809965
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 50
CID 165436711
US11420976, Example 55
CID 165436713
US11420976, Example 55d
CID 165436714
US11420976, Example 59e
CID 165436721
US11420976, Example 64
CID 165436722

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).