N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide

C33H30ClF4N5O4 — CID 165436714

IUPACN-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C33H30ClF4N5O4/c34-23-10-16(1-8-24(23)35)28-29-22(32(39,15-46-29)33(36,37)38)12-26(41-28)31(45,19-2-3-19)14-40-30(44)17-9-18-13-43(20-4-5-20)42-27(18)25(11-17)47-21-6-7-21/h1,8-13,19-21,45H,2-7,14-15,39H2,(H,40,44)/t31-,32+/m1/s1
InChIKeyOYWYFBYFXGFMEC-ZWXJPIIXSA-N
MW672.08 g/mol
LogP5.90
Rot. Bonds9

About N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide (PubChem CID 165436714) has the molecular formula C33H30ClF4N5O4 and a molecular weight of 672.08 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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide
PubChem CID165436714
Molecular FormulaC33H30ClF4N5O4
Molecular Weight672.08 g/mol
Exact Mass671.19
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C33H30ClF4N5O4/c34-23-10-16(1-8-24(23)35)28-29-22(32(39,15-46-29)33(36,37)38)12-26(41-28)31(45,19-2-3-19)14-40-30(44)17-9-18-13-43(20-4-5-20)42-27(18)25(11-17)47-21-6-7-21/h1,8-13,19-21,45H,2-7,14-15,39H2,(H,40,44)/t31-,32+/m1/s1
InChIKeyOYWYFBYFXGFMEC-ZWXJPIIXSA-N
XLogP5.90
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.08
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide with MolForge

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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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide (CID 165436714) is N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide is N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4CC4)cc3c1)C1CC1)nc2-c1ccc(F)c(Cl)c1.
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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide?
The InChIKey is OYWYFBYFXGFMEC-ZWXJPIIXSA-N. The full InChI is InChI=1S/C33H30ClF4N5O4/c34-23-10-16(1-8-24(23)35)28-29-22(32(39,15-46-29)33(36,37)38)12-26(41-28)31(45,19-2-3-19)14-40-30(44)17-9-18-13-43(20-4-5-20)42-27(18)25(11-17)47-21-6-7-21/h1,8-13,19-21,45H,2-7,14-15,39H2,(H,40,44)/t31-,32+/m1/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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide has a molecular weight of 672.08 g/mol, XLogP of 5.90, 9 rotatable bonds, 3 hydrogen bond donors, and 8 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-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide is sourced from PubChem (CID 165436714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).