N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

C23H15F2N5OS — CID 59604024

IUPACN-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C23H15F2N5OS/c24-18-3-4-20(25)15(6-18)9-28-23(31)21-7-16(13-32-21)19-11-29-30-12-17(10-27-22(19)30)14-2-1-5-26-8-14/h1-8,10-13H,9H2,(H,28,31)
InChIKeyFDPRYIYWIOBQAP-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.73
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide

N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 59604024) has the molecular formula C23H15F2N5OS and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID59604024
Molecular FormulaC23H15F2N5OS
Molecular Weight447.47 g/mol
Exact Mass447.10
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C23H15F2N5OS/c24-18-3-4-20(25)15(6-18)9-28-23(31)21-7-16(13-32-21)19-11-29-30-12-17(10-27-22(19)30)14-2-1-5-26-8-14/h1-8,10-13H,9H2,(H,28,31)
InChIKeyFDPRYIYWIOBQAP-UHFFFAOYSA-N
XLogP4.73
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 59604033
N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59603821
N-[2-(diethylamino)ethyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10477182
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
N-(3-indol-1-ylpropyl)-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)thiophene-2-carboxamide
CID 10028021
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
N-[(1R,2S)-2-amino-3,3,3-trifluoro-1-phenylpropyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603903
4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 168962397
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(2S)-1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 59603955

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 59604024) is N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is O=C(NCc1cc(F)ccc1F)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is FDPRYIYWIOBQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5OS/c24-18-3-4-20(25)15(6-18)9-28-23(31)21-7-16(13-32-21)19-11-29-30-12-17(10-27-22(19)30)14-2-1-5-26-8-14/h1-8,10-13H,9H2,(H,28,31).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59604024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).