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

C29H28F2N4O3 — CID 157161317

IUPAC(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-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(F)c2n1
InChIInChI=1S/C29H28F2N4O3/c1-28(32)15-38-27-21(28)13-24(33-26(27)16-3-7-20(30)8-4-16)29(37,19-5-6-19)10-9-23(36)17-11-18-14-35(2)34-25(18)22(31)12-17/h3-4,7-8,11-14,19,37H,5-6,9-10,15,32H2,1-2H3/t28-,29+/m0/s1
InChIKeyAMKGBKDCHMPFQS-URLMMPGGSA-N
MW518.56 g/mol
LogP4.74
Rot. Bonds7

About (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one (PubChem CID 157161317) has the molecular formula C29H28F2N4O3 and a molecular weight of 518.56 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-fluoro-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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one
PubChem CID157161317
Molecular FormulaC29H28F2N4O3
Molecular Weight518.56 g/mol
Exact Mass518.21
IUPAC Name(4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-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(F)c2n1
InChIInChI=1S/C29H28F2N4O3/c1-28(32)15-38-27-21(28)13-24(33-26(27)16-3-7-20(30)8-4-16)29(37,19-5-6-19)10-9-23(36)17-11-18-14-35(2)34-25(18)22(31)12-17/h3-4,7-8,11-14,19,37H,5-6,9-10,15,32H2,1-2H3/t28-,29+/m0/s1
InChIKeyAMKGBKDCHMPFQS-URLMMPGGSA-N
XLogP4.74
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46190875
(S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226075
(S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 46226076
(S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11633229
3-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591759
3-[(1S)-1-(2-amino-6-fluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591855
3-[(1S)-1-(2-amino-5,8-difluoroquinolin-3-yl)oxyethyl]-4-pyrazol-1-ylbenzoic acid
CID 146591936
US11420976, Example 16
CID 156809888
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 55c
CID 156809965
US11420976, Example 10
CID 163633832

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-fluoro-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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one (CID 157161317) is (4R)-4-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-fluoro-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-fluoro-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-fluoro-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(F)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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one?
The InChIKey is AMKGBKDCHMPFQS-URLMMPGGSA-N. The full InChI is InChI=1S/C29H28F2N4O3/c1-28(32)15-38-27-21(28)13-24(33-26(27)16-3-7-20(30)8-4-16)29(37,19-5-6-19)10-9-23(36)17-11-18-14-35(2)34-25(18)22(31)12-17/h3-4,7-8,11-14,19,37H,5-6,9-10,15,32H2,1-2H3/t28-,29+/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-fluoro-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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one has a molecular weight of 518.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-fluoro-2-methylindazol-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 157161317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).