(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one

C30H31FN4O4 — CID 157100290

IUPAC(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C30H31FN4O4/c1-29(32)16-39-28-22(29)14-25(33-27(28)17-4-8-21(31)9-5-17)30(37,20-6-7-20)11-10-23(36)18-12-19-15-35(2)34-26(19)24(13-18)38-3/h4-5,8-9,12-15,20,37H,6-7,10-11,16,32H2,1-3H3/t29-,30+/m0/s1
InChIKeyAFRNCVCDSPIVBT-XZWHSSHBSA-N
MW530.60 g/mol
LogP4.61
Rot. Bonds8

About (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one

(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (PubChem CID 157100290) has the molecular formula C30H31FN4O4 and a molecular weight of 530.60 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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
PubChem CID157100290
Molecular FormulaC30H31FN4O4
Molecular Weight530.60 g/mol
Exact Mass530.23
IUPAC Name(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C30H31FN4O4/c1-29(32)16-39-28-22(29)14-25(33-27(28)17-4-8-21(31)9-5-17)30(37,20-6-7-20)11-10-23(36)18-12-19-15-35(2)34-26(19)24(13-18)38-3/h4-5,8-9,12-15,20,37H,6-7,10-11,16,32H2,1-3H3/t29-,30+/m0/s1
InChIKeyAFRNCVCDSPIVBT-XZWHSSHBSA-N
XLogP4.61
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 54.61
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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11633229
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 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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (CID 157100290) is (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)nc12.
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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
The InChIKey is AFRNCVCDSPIVBT-XZWHSSHBSA-N. The full InChI is InChI=1S/C30H31FN4O4/c1-29(32)16-39-28-22(29)14-25(33-27(28)17-4-8-21(31)9-5-17)30(37,20-6-7-20)11-10-23(36)18-12-19-15-35(2)34-26(19)24(13-18)38-3/h4-5,8-9,12-15,20,37H,6-7,10-11,16,32H2,1-3H3/t29-,30+/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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one has a molecular weight of 530.60 g/mol, XLogP of 4.61, 8 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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is sourced from PubChem (CID 157100290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).