(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C30H27ClFN3O5 — CID 167533833

IUPAC(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)c(Cl)c5)n3)OC[C@]4(C)C(N)=O)cc2c1
InChIInChI=1S/C30H27ClFN3O5/c1-15-8-18-9-17(11-23(37)25(18)34-13-15)22(36)6-7-30(3,39)24-12-19-27(40-14-29(19,2)28(33)38)26(35-24)16-4-5-21(32)20(31)10-16/h4-5,8-13,37,39H,6-7,14H2,1-3H3,(H2,33,38)/t29-,30-/m0/s1
InChIKeyAHZIIRHDCVVBON-KYJUHHDHSA-N
MW564.01 g/mol
LogP5.11
Rot. Bonds7

About (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167533833) has the molecular formula C30H27ClFN3O5 and a molecular weight of 564.01 g/mol. Its IUPAC name is (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167533833
Molecular FormulaC30H27ClFN3O5
Molecular Weight564.01 g/mol
Exact Mass563.16
IUPAC Name(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)c(Cl)c5)n3)OC[C@]4(C)C(N)=O)cc2c1
InChIInChI=1S/C30H27ClFN3O5/c1-15-8-18-9-17(11-23(37)25(18)34-13-15)22(36)6-7-30(3,39)24-12-19-27(40-14-29(19,2)28(33)38)26(35-24)16-4-5-21(32)20(31)10-16/h4-5,8-13,37,39H,6-7,14H2,1-3H3,(H2,33,38)/t29-,30-/m0/s1
InChIKeyAHZIIRHDCVVBON-KYJUHHDHSA-N
XLogP5.11
TPSA135.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.01
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

US11420976, Example 30
CID 156809842
US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 50
CID 165436711
US11420976, Example 59d
CID 165436720
N-[(2S)-2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156896242
N-[(2S)-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 168823548
US11420976, Example 41
CID 165436705

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167533833) is (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)c(Cl)c5)n3)OC[C@]4(C)C(N)=O)cc2c1.
What is the InChIKey of (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is AHZIIRHDCVVBON-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H27ClFN3O5/c1-15-8-18-9-17(11-23(37)25(18)34-13-15)22(36)6-7-30(3,39)24-12-19-27(40-14-29(19,2)28(33)38)26(35-24)16-4-5-21(32)20(31)10-16/h4-5,8-13,37,39H,6-7,14H2,1-3H3,(H2,33,38)/t29-,30-/m0/s1.
What are the key properties of (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 564.01 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(3-chloro-4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-hydroxy-3-methylquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167533833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).