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

C30H30ClFN4O4 — CID 157186221

IUPAC(4R)-4-[(3R)-3-amino-7-(3-chloro-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)c(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C30H30ClFN4O4/c1-29(33)15-40-28-20(29)13-25(34-27(28)16-4-7-22(32)21(31)11-16)30(38,19-5-6-19)9-8-23(37)17-10-18-14-36(2)35-26(18)24(12-17)39-3/h4,7,10-14,19,38H,5-6,8-9,15,33H2,1-3H3/t29-,30+/m0/s1
InChIKeyAPDNYUMENXIJOG-XZWHSSHBSA-N
MW565.05 g/mol
LogP5.26
Rot. Bonds8

About (4R)-4-[(3R)-3-amino-7-(3-chloro-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-(3-chloro-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 157186221) has the molecular formula C30H30ClFN4O4 and a molecular weight of 565.05 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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
PubChem CID157186221
Molecular FormulaC30H30ClFN4O4
Molecular Weight565.05 g/mol
Exact Mass564.19
IUPAC Name(4R)-4-[(3R)-3-amino-7-(3-chloro-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)c(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C30H30ClFN4O4/c1-29(33)15-40-28-20(29)13-25(34-27(28)16-4-7-22(32)21(31)11-16)30(38,19-5-6-19)9-8-23(37)17-10-18-14-36(2)35-26(18)24(12-17)39-3/h4,7,10-14,19,38H,5-6,8-9,15,33H2,1-3H3/t29-,30+/m0/s1
InChIKeyAPDNYUMENXIJOG-XZWHSSHBSA-N
XLogP5.26
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.05
LogP ≤ 55.26
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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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]-3,3,3-trifluoro-2-hydroxypropyl]-8-hydroxyquinoline-6-carboxamide
CID 117936611
N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936663
N-[[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]oxiran-2-yl]methyl]-8-methoxyquinoline-6-carboxamide
CID 117936671

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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (CID 157186221) is (4R)-4-[(3R)-3-amino-7-(3-chloro-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-(3-chloro-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-(3-chloro-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)c(Cl)c4)n2)OC[C@]3(C)N)C2CC2)cc2cn(C)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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
The InChIKey is APDNYUMENXIJOG-XZWHSSHBSA-N. The full InChI is InChI=1S/C30H30ClFN4O4/c1-29(33)15-40-28-20(29)13-25(34-27(28)16-4-7-22(32)21(31)11-16)30(38,19-5-6-19)9-8-23(37)17-10-18-14-36(2)35-26(18)24(12-17)39-3/h4,7,10-14,19,38H,5-6,8-9,15,33H2,1-3H3/t29-,30+/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-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
(4R)-4-[(3R)-3-amino-7-(3-chloro-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 565.05 g/mol, XLogP of 5.26, 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-(3-chloro-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 157186221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).