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

C24H23F2N5O3S — CID 59525711

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cnn(CCO)c4)n3)s2)c(F)c1
InChIInChI=1S/C24H23F2N5O3S/c1-24(2,34)14-8-16(25)21(17(26)9-14)19-10-15(22(27)33)23(35-19)30-20-5-3-4-18(29-20)13-11-28-31(12-13)6-7-32/h3-5,8-12,32,34H,6-7H2,1-2H3,(H2,27,33)(H,29,30)
InChIKeySMXGNZXYIPDLRX-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.01
Rot. Bonds8

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

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525711) has the molecular formula C24H23F2N5O3S and a molecular weight of 499.54 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525711
Molecular FormulaC24H23F2N5O3S
Molecular Weight499.54 g/mol
Exact Mass499.15
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cnn(CCO)c4)n3)s2)c(F)c1
InChIInChI=1S/C24H23F2N5O3S/c1-24(2,34)14-8-16(25)21(17(26)9-14)19-10-15(22(27)33)23(35-19)30-20-5-3-4-18(29-20)13-11-28-31(12-13)6-7-32/h3-5,8-12,32,34H,6-7H2,1-2H3,(H2,27,33)(H,29,30)
InChIKeySMXGNZXYIPDLRX-UHFFFAOYSA-N
XLogP4.01
TPSA126.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525711) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(-c4cnn(CCO)c4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is SMXGNZXYIPDLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3S/c1-24(2,34)14-8-16(25)21(17(26)9-14)19-10-15(22(27)33)23(35-19)30-20-5-3-4-18(29-20)13-11-28-31(12-13)6-7-32/h3-5,8-12,32,34H,6-7H2,1-2H3,(H2,27,33)(H,29,30).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).