(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C37H31Cl2F2N5O5 — CID 170408258

IUPAC(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4(F)CC4)cc3c1)c1cccc(F)c1)nc2-c1cccc(Cl)c1Cl
InChIInChI=1S/C37H31Cl2F2N5O5/c1-35(34(42)48)18-50-32-25(35)15-28(44-31(32)24-6-3-7-26(38)29(24)39)37(49,21-4-2-5-22(40)14-21)17-43-33(47)19-12-20-16-46(36(41)10-11-36)45-30(20)27(13-19)51-23-8-9-23/h2-7,12-16,23,49H,8-11,17-18H2,1H3,(H2,42,48)(H,43,47)/t35-,37+/m0/s1
InChIKeyMQULDFQYJQUOBN-YBZKQSBQSA-N
MW734.59 g/mol
LogP6.30
Rot. Bonds10

About (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170408258) has the molecular formula C37H31Cl2F2N5O5 and a molecular weight of 734.59 g/mol. Its IUPAC name is (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID170408258
Molecular FormulaC37H31Cl2F2N5O5
Molecular Weight734.59 g/mol
Exact Mass733.17
IUPAC Name(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4(F)CC4)cc3c1)c1cccc(F)c1)nc2-c1cccc(Cl)c1Cl
InChIInChI=1S/C37H31Cl2F2N5O5/c1-35(34(42)48)18-50-32-25(35)15-28(44-31(32)24-6-3-7-26(38)29(24)39)37(49,21-4-2-5-22(40)14-21)17-43-33(47)19-12-20-16-46(36(41)10-11-36)45-30(20)27(13-19)51-23-8-9-23/h2-7,12-16,23,49H,8-11,17-18H2,1H3,(H2,42,48)(H,43,47)/t35-,37+/m0/s1
InChIKeyMQULDFQYJQUOBN-YBZKQSBQSA-N
XLogP6.30
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.59
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170408258) is (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@]1(C(N)=O)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3nn(C4(F)CC4)cc3c1)c1cccc(F)c1)nc2-c1cccc(Cl)c1Cl.
What is the InChIKey of (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is MQULDFQYJQUOBN-YBZKQSBQSA-N. The full InChI is InChI=1S/C37H31Cl2F2N5O5/c1-35(34(42)48)18-50-32-25(35)15-28(44-31(32)24-6-3-7-26(38)29(24)39)37(49,21-4-2-5-22(40)14-21)17-43-33(47)19-12-20-16-46(36(41)10-11-36)45-30(20)27(13-19)51-23-8-9-23/h2-7,12-16,23,49H,8-11,17-18H2,1H3,(H2,42,48)(H,43,47)/t35-,37+/m0/s1.
What are the key properties of (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 734.59 g/mol, XLogP of 6.30, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1S)-2-[[7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carbonyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170408258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).