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

C26H23F2N5O3 — CID 17026587

IUPAC7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5OC)nc34)c2c1
InChIInChI=1S/C26H23F2N5O3/c1-35-16-7-8-20-18(11-16)15(13-30-20)9-10-29-26(34)19-14-31-33-22(24(27)28)12-21(32-25(19)33)17-5-3-4-6-23(17)36-2/h3-8,11-14,24,30H,9-10H2,1-2H3,(H,29,34)
InChIKeyFXEWTVIDSLOLID-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.80
Rot. Bonds8

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

7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17026587) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17026587
Molecular FormulaC26H23F2N5O3
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5OC)nc34)c2c1
InChIInChI=1S/C26H23F2N5O3/c1-35-16-7-8-20-18(11-16)15(13-30-20)9-10-29-26(34)19-14-31-33-22(24(27)28)12-21(32-25(19)33)17-5-3-4-6-23(17)36-2/h3-8,11-14,24,30H,9-10H2,1-2H3,(H,29,34)
InChIKeyFXEWTVIDSLOLID-UHFFFAOYSA-N
XLogP4.80
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17026587) is 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5OC)nc34)c2c1.
What is the InChIKey of 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FXEWTVIDSLOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-35-16-7-8-20-18(11-16)15(13-30-20)9-10-29-26(34)19-14-31-33-22(24(27)28)12-21(32-25(19)33)17-5-3-4-6-23(17)36-2/h3-8,11-14,24,30H,9-10H2,1-2H3,(H,29,34).
What are the key properties of 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17026587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).