5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H20F3N5O3 — CID 1273328

IUPAC5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c2c1
InChIInChI=1S/C24H20F3N5O3/c1-13-15(16-10-14(34-2)5-6-18(16)30-13)7-8-28-23(33)17-12-29-32-21(24(25,26)27)11-19(31-22(17)32)20-4-3-9-35-20/h3-6,9-12,30H,7-8H2,1-2H3,(H,28,33)
InChIKeyOVHPMYMDBPKIEO-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.78
Rot. Bonds6

About 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1273328) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1273328
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c2c1
InChIInChI=1S/C24H20F3N5O3/c1-13-15(16-10-14(34-2)5-6-18(16)30-13)7-8-28-23(33)17-12-29-32-21(24(25,26)27)11-19(31-22(17)32)20-4-3-9-35-20/h3-6,9-12,30H,7-8H2,1-2H3,(H,28,33)
InChIKeyOVHPMYMDBPKIEO-UHFFFAOYSA-N
XLogP4.78
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 10791347
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
Mycro3
CID 1045147
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
5-[5-Benzyl-4-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,3-Oxazol-2-Yl]-1-Ethyl-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
CID 46945866
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1273328) is 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc2[nH]c(C)c(CCNC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccco5)nc34)c2c1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OVHPMYMDBPKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-13-15(16-10-14(34-2)5-6-18(16)30-13)7-8-28-23(33)17-12-29-32-21(24(25,26)27)11-19(31-22(17)32)20-4-3-9-35-20/h3-6,9-12,30H,7-8H2,1-2H3,(H,28,33).
What are the key properties of 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1273328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).