(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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

C32H27F4N5O5S — CID 164910461

IUPAC(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(C3CC3)nn12
InChIInChI=1S/C32H27F4N5O5S/c1-30(29(37)43)14-46-26-20(30)11-23(39-25(26)19-12-47-27-18(19)4-3-5-21(27)33)31(44,32(34,35)36)13-38-28(42)16-8-17-10-22(15-6-7-15)40-41(17)24(9-16)45-2/h3-5,8-12,15,44H,6-7,13-14H2,1-2H3,(H2,37,43)(H,38,42)/t30-,31-/m0/s1
InChIKeyBSAFFASYFSQDDF-CONSDPRKSA-N
MW669.66 g/mol
LogP4.95
Rot. Bonds8

About (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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

(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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 (PubChem CID 164910461) has the molecular formula C32H27F4N5O5S and a molecular weight of 669.66 g/mol. Its IUPAC name is (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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.

Molecular Properties

Compound Name(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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
PubChem CID164910461
Molecular FormulaC32H27F4N5O5S
Molecular Weight669.66 g/mol
Exact Mass669.17
IUPAC Name(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(C3CC3)nn12
InChIInChI=1S/C32H27F4N5O5S/c1-30(29(37)43)14-46-26-20(30)11-23(39-25(26)19-12-47-27-18(19)4-3-5-21(27)33)31(44,32(34,35)36)13-38-28(42)16-8-17-10-22(15-6-7-15)40-41(17)24(9-16)45-2/h3-5,8-12,15,44H,6-7,13-14H2,1-2H3,(H2,37,43)(H,38,42)/t30-,31-/m0/s1
InChIKeyBSAFFASYFSQDDF-CONSDPRKSA-N
XLogP4.95
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.66
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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?
The IUPAC name of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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 164910461) is (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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.
What is the SMILES notation for (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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?
The canonical SMILES for (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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 is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4csc5c(F)cccc45)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2cc(C3CC3)nn12.
What is the InChIKey of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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?
The InChIKey is BSAFFASYFSQDDF-CONSDPRKSA-N. The full InChI is InChI=1S/C32H27F4N5O5S/c1-30(29(37)43)14-46-26-20(30)11-23(39-25(26)19-12-47-27-18(19)4-3-5-21(27)33)31(44,32(34,35)36)13-38-28(42)16-8-17-10-22(15-6-7-15)40-41(17)24(9-16)45-2/h3-5,8-12,15,44H,6-7,13-14H2,1-2H3,(H2,37,43)(H,38,42)/t30-,31-/m0/s1.
What are the key properties of (3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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?
(3R)-5-[(2S)-3-[(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-5-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 has a molecular weight of 669.66 g/mol, XLogP of 4.95, 8 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-methoxypyrazolo[1,5-a]pyridine-5-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 is sourced from PubChem (CID 164910461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).