5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide

C25H28F2N8O3S — CID 123765029

IUPAC5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCC(F)(F)CC1)c1ccc(-c2cc(NC3CC3)n3ncc(Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C25H28F2N8O3S/c26-25(27)5-8-34(9-6-25)10-7-28-23(37)19-4-3-18(39-19)16-12-20(30-15-1-2-15)35-21(31-16)14(13-29-35)11-17-22(36)33-24(38)32-17/h3-4,12-13,15,30,36H,1-2,5-11H2,(H,28,37)(H2,32,33,38)
InChIKeyYWVBGQFIXSUOAT-UHFFFAOYSA-N
MW558.62 g/mol
LogP2.81
Rot. Bonds9

About 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide

5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 123765029) has the molecular formula C25H28F2N8O3S and a molecular weight of 558.62 g/mol. Its IUPAC name is 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID123765029
Molecular FormulaC25H28F2N8O3S
Molecular Weight558.62 g/mol
Exact Mass558.20
IUPAC Name5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCC(F)(F)CC1)c1ccc(-c2cc(NC3CC3)n3ncc(Cc4[nH]c(=O)[nH]c4O)c3n2)s1
InChIInChI=1S/C25H28F2N8O3S/c26-25(27)5-8-34(9-6-25)10-7-28-23(37)19-4-3-18(39-19)16-12-20(30-15-1-2-15)35-21(31-16)14(13-29-35)11-17-22(36)33-24(38)32-17/h3-4,12-13,15,30,36H,1-2,5-11H2,(H,28,37)(H2,32,33,38)
InChIKeyYWVBGQFIXSUOAT-UHFFFAOYSA-N
XLogP2.81
TPSA143.44 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.62
LogP ≤ 52.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 145
CID 134540190
US10100058, Example 162
CID 134539487
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886
US10100058, Example 105
CID 134540034
US10100058, Example 315
CID 134540047
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119
US10100058, Example 316
CID 134540172
US10100058, Example 275
CID 134539929
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-methanone
CID 1040117

Frequently Asked Questions

What is the IUPAC name of 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide (CID 123765029) is 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCN1CCC(F)(F)CC1)c1ccc(-c2cc(NC3CC3)n3ncc(Cc4[nH]c(=O)[nH]c4O)c3n2)s1.
What is the InChIKey of 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is YWVBGQFIXSUOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O3S/c26-25(27)5-8-34(9-6-25)10-7-28-23(37)19-4-3-18(39-19)16-12-20(30-15-1-2-15)35-21(31-16)14(13-29-35)11-17-22(36)33-24(38)32-17/h3-4,12-13,15,30,36H,1-2,5-11H2,(H,28,37)(H2,32,33,38).
What are the key properties of 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide?
5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 558.62 g/mol, XLogP of 2.81, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(cyclopropylamino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 123765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).