N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

C30H25ClF4N4O4 — CID 165436715

IUPACN-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C30H25ClF4N4O4/c1-28(41,13-38-27(40)17-9-15-3-2-8-37-24(15)22(11-17)43-18-5-6-18)23-12-19-26(42-14-29(19,36)30(33,34)35)25(39-23)16-4-7-21(32)20(31)10-16/h2-4,7-12,18,41H,5-6,13-14,36H2,1H3,(H,38,40)/t28-,29-/m0/s1
InChIKeyBEIHOZXIUIWPDK-VMPREFPWSA-N
MW617.00 g/mol
LogP5.38
Rot. Bonds7

About N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (PubChem CID 165436715) has the molecular formula C30H25ClF4N4O4 and a molecular weight of 617.00 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
PubChem CID165436715
Molecular FormulaC30H25ClF4N4O4
Molecular Weight617.00 g/mol
Exact Mass616.15
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OC[C@@]2(N)C(F)(F)F
InChIInChI=1S/C30H25ClF4N4O4/c1-28(41,13-38-27(40)17-9-15-3-2-8-37-24(15)22(11-17)43-18-5-6-18)23-12-19-26(42-14-29(19,36)30(33,34)35)25(39-23)16-4-7-21(32)20(31)10-16/h2-4,7-12,18,41H,5-6,13-14,36H2,1H3,(H,38,40)/t28-,29-/m0/s1
InChIKeyBEIHOZXIUIWPDK-VMPREFPWSA-N
XLogP5.38
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.00
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-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 55c
CID 156809965
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 18
CID 165436686
US11420976, Example 50
CID 165436711
US11420976, Example 55
CID 165436713
US11420976, Example 55d
CID 165436714

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide (CID 165436715) is N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is C[C@](O)(CNC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(Cl)c3)n1)OC[C@@]2(N)C(F)(F)F.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
The InChIKey is BEIHOZXIUIWPDK-VMPREFPWSA-N. The full InChI is InChI=1S/C30H25ClF4N4O4/c1-28(41,13-38-27(40)17-9-15-3-2-8-37-24(15)22(11-17)43-18-5-6-18)23-12-19-26(42-14-29(19,36)30(33,34)35)25(39-23)16-4-7-21(32)20(31)10-16/h2-4,7-12,18,41H,5-6,13-14,36H2,1H3,(H,38,40)/t28-,29-/m0/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide has a molecular weight of 617.00 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-8-cyclopropyloxyquinoline-6-carboxamide is sourced from PubChem (CID 165436715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).