N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide

C35H33F2N5O5S — CID 169240972

IUPACN-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)CC(N)=O)C2(F)CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C35H33F2N5O5S/c1-33(13-27(38)43)17-47-30-23(33)12-26(40-29(30)22-15-48-31-21(22)4-3-5-24(31)36)35(45,34(37)8-9-34)16-39-32(44)18-10-19-14-42(20-6-7-20)41-28(19)25(11-18)46-2/h3-5,10-12,14-15,20,45H,6-9,13,16-17H2,1-2H3,(H2,38,43)(H,39,44)/t33-,35-/m0/s1
InChIKeyXSHXMPIDRIMNFW-LRHLLKFHSA-N
MW673.74 g/mol
LogP5.44
Rot. Bonds10

About N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide

N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide (PubChem CID 169240972) has the molecular formula C35H33F2N5O5S and a molecular weight of 673.74 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
PubChem CID169240972
Molecular FormulaC35H33F2N5O5S
Molecular Weight673.74 g/mol
Exact Mass673.22
IUPAC NameN-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)CC(N)=O)C2(F)CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C35H33F2N5O5S/c1-33(13-27(38)43)17-47-30-23(33)12-26(40-29(30)22-15-48-31-21(22)4-3-5-24(31)36)35(45,34(37)8-9-34)16-39-32(44)18-10-19-14-42(20-6-7-20)41-28(19)25(11-18)46-2/h3-5,10-12,14-15,20,45H,6-9,13,16-17H2,1-2H3,(H2,38,43)(H,39,44)/t33-,35-/m0/s1
InChIKeyXSHXMPIDRIMNFW-LRHLLKFHSA-N
XLogP5.44
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.74
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-5-[(2R)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911140
(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluoro-2-methoxyphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406252
(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170409095
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[1-(5-chlorothiophen-2-yl)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170408567
(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407532
(3R)-5-[(2S)-3-[(3-bromo-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911144
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407171
(3R)-7-(5-chloro-2-fluoro-3-methylphenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406084
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170408509
(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911535
(3R)-7-(1-benzothiophen-6-yl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406095
(3R)-7-(3-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[[2-cyclopropyl-7-[(2R)-2-hydroxypropoxy]indazole-5-carbonyl]amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170405994

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide (CID 169240972) is N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)CC(N)=O)C2(F)CC2)cc2cn(C3CC3)nc12.
What is the InChIKey of N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The InChIKey is XSHXMPIDRIMNFW-LRHLLKFHSA-N. The full InChI is InChI=1S/C35H33F2N5O5S/c1-33(13-27(38)43)17-47-30-23(33)12-26(40-29(30)22-15-48-31-21(22)4-3-5-24(31)36)35(45,34(37)8-9-34)16-39-32(44)18-10-19-14-42(20-6-7-20)41-28(19)25(11-18)46-2/h3-5,10-12,14-15,20,45H,6-9,13,16-17H2,1-2H3,(H2,38,43)(H,39,44)/t33-,35-/m0/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide has a molecular weight of 673.74 g/mol, XLogP of 5.44, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-(2-amino-2-oxoethyl)-7-(7-fluoro-1-benzothiophen-3-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide is sourced from PubChem (CID 169240972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).