(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C29H26F5N5O5S — CID 164910869

IUPAC(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(C(F)F)s4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12
InChIInChI=1S/C29H26F5N5O5S/c1-27(26(35)41)12-44-23-16(27)9-20(37-22(23)18-5-6-19(45-18)24(30)31)28(42,29(32,33)34)11-36-25(40)13-7-14-10-39(15-3-4-15)38-21(14)17(8-13)43-2/h5-10,15,24,42H,3-4,11-12H2,1-2H3,(H2,35,41)(H,36,40)/t27-,28-/m0/s1
InChIKeyHFSGOPBCMUTZJQ-NSOVKSMOSA-N
MW651.61 g/mol
LogP4.76
Rot. Bonds9

About (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910869) has the molecular formula C29H26F5N5O5S and a molecular weight of 651.61 g/mol. Its IUPAC name is (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164910869
Molecular FormulaC29H26F5N5O5S
Molecular Weight651.61 g/mol
Exact Mass651.16
IUPAC Name(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(C(F)F)s4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12
InChIInChI=1S/C29H26F5N5O5S/c1-27(26(35)41)12-44-23-16(27)9-20(37-22(23)18-5-6-19(45-18)24(30)31)28(42,29(32,33)34)11-36-25(40)13-7-14-10-39(15-3-4-15)38-21(14)17(8-13)43-2/h5-10,15,24,42H,3-4,11-12H2,1-2H3,(H2,35,41)(H,36,40)/t27-,28-/m0/s1
InChIKeyHFSGOPBCMUTZJQ-NSOVKSMOSA-N
XLogP4.76
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.61
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-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-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910869) is (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(C(F)F)s4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12.
What is the InChIKey of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is HFSGOPBCMUTZJQ-NSOVKSMOSA-N. The full InChI is InChI=1S/C29H26F5N5O5S/c1-27(26(35)41)12-44-23-16(27)9-20(37-22(23)18-5-6-19(45-18)24(30)31)28(42,29(32,33)34)11-36-25(40)13-7-14-10-39(15-3-4-15)38-21(14)17(8-13)43-2/h5-10,15,24,42H,3-4,11-12H2,1-2H3,(H2,35,41)(H,36,40)/t27-,28-/m0/s1.
What are the key properties of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 651.61 g/mol, XLogP of 4.76, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-[5-(difluoromethyl)thiophen-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).