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

C22H17N5O2S — CID 59603847

IUPACN-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccco1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C22H17N5O2S/c28-22(24-7-5-18-4-2-8-29-18)20-9-16(14-30-20)19-12-26-27-13-17(11-25-21(19)27)15-3-1-6-23-10-15/h1-4,6,8-14H,5,7H2,(H,24,28)
InChIKeyXZJGVBHNTWWLCB-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.09
Rot. Bonds6

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

N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (PubChem CID 59603847) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
PubChem CID59603847
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccco1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
InChIInChI=1S/C22H17N5O2S/c28-22(24-7-5-18-4-2-8-29-18)20-9-16(14-30-20)19-12-26-27-13-17(11-25-21(19)27)15-3-1-6-23-10-15/h1-4,6,8-14H,5,7H2,(H,24,28)
InChIKeyXZJGVBHNTWWLCB-UHFFFAOYSA-N
XLogP4.09
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 24759534
US10100058, Example 348
CID 134539892
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
4-[6-[4-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 70841494
N-(2-furylmethyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2979683
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
N-(furan-2-ylmethyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 5310192
N-(furan-2-ylmethyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310234
N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-thiophen-2-ylacetamide
CID 45481755
N-[4-(furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-thiophen-3-ylacetamide
CID 45481764
N-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-thiophen-2-ylacetamide
CID 45482068
N-[11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-thiophen-2-ylacetamide
CID 45482085

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide (CID 59603847) is N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is O=C(NCCc1ccco1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
The InChIKey is XZJGVBHNTWWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c28-22(24-7-5-18-4-2-8-29-18)20-9-16(14-30-20)19-12-26-27-13-17(11-25-21(19)27)15-3-1-6-23-10-15/h1-4,6,8-14H,5,7H2,(H,24,28).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide?
N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59603847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).