5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H22FN7O — CID 135363278

IUPAC5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H22FN7O/c1-31(2)24(33)19-14-29-32-22(10-21(30-23(19)32)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28H,7-8H2,1-2H3
InChIKeyJFDPCLGVQIKRGC-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.77
Rot. Bonds6

About 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135363278) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135363278
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H22FN7O/c1-31(2)24(33)19-14-29-32-22(10-21(30-23(19)32)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28H,7-8H2,1-2H3
InChIKeyJFDPCLGVQIKRGC-UHFFFAOYSA-N
XLogP3.77
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135363278) is 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(NCCc3c[nH]c4ccccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JFDPCLGVQIKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c1-31(2)24(33)19-14-29-32-22(10-21(30-23(19)32)16-9-17(25)13-26-11-16)27-8-7-15-12-28-20-6-4-3-5-18(15)20/h3-6,9-14,27-28H,7-8H2,1-2H3.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135363278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).