2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

C25H23F2N5O3S — CID 59525883

IUPAC2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C25H23F2N5O3S/c1-11-14(23-32-31-22(35-23)12-4-5-12)6-7-19(29-11)30-24-15(21(28)33)10-18(36-24)20-16(26)8-13(9-17(20)27)25(2,3)34/h6-10,12,34H,4-5H2,1-3H3,(H2,28,33)(H,29,30)
InChIKeyDXCJBMHRCQTWBL-UHFFFAOYSA-N
MW511.55 g/mol
LogP5.39
Rot. Bonds7

About 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 59525883) has the molecular formula C25H23F2N5O3S and a molecular weight of 511.55 g/mol. Its IUPAC name is 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID59525883
Molecular FormulaC25H23F2N5O3S
Molecular Weight511.55 g/mol
Exact Mass511.15
IUPAC Name2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C2CC2)o1
InChIInChI=1S/C25H23F2N5O3S/c1-11-14(23-32-31-22(35-23)12-4-5-12)6-7-19(29-11)30-24-15(21(28)33)10-18(36-24)20-16(26)8-13(9-17(20)27)25(2,3)34/h6-10,12,34H,4-5H2,1-3H3,(H2,28,33)(H,29,30)
InChIKeyDXCJBMHRCQTWBL-UHFFFAOYSA-N
XLogP5.39
TPSA127.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 59525883) is 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is DXCJBMHRCQTWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3S/c1-11-14(23-32-31-22(35-23)12-4-5-12)6-7-19(29-11)30-24-15(21(28)33)10-18(36-24)20-16(26)8-13(9-17(20)27)25(2,3)34/h6-10,12,34H,4-5H2,1-3H3,(H2,28,33)(H,29,30).
What are the key properties of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-methyl-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).