3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol

C22H19FN6O — CID 135376590

IUPAC3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
SMILESCc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O/c1-13-9-27-29-20(8-18(28-22(13)29)15-7-16(23)12-24-10-15)25-6-5-14-11-26-21-17(14)3-2-4-19(21)30/h2-4,7-12,25-26,30H,5-6H2,1H3
InChIKeyZZNZCSFHMSFETF-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.08
Rot. Bonds5

About 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol

3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol (PubChem CID 135376590) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
PubChem CID135376590
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol
SMILESCc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O/c1-13-9-27-29-20(8-18(28-22(13)29)15-7-16(23)12-24-10-15)25-6-5-14-11-26-21-17(14)3-2-4-19(21)30/h2-4,7-12,25-26,30H,5-6H2,1H3
InChIKeyZZNZCSFHMSFETF-UHFFFAOYSA-N
XLogP4.08
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
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3-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-3-yl)phenol
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5-(7-(8-Ethyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 44226657
2-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)phenol
CID 44416137
3-(3-Indolylmethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406046
3-[4-Amino-1-[(1,3-dimethyl-5-phenylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
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US10172858, Table 2.63
CID 136088593
US10172858, Table 2.62
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The IUPAC name of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol (CID 135376590) is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The canonical SMILES for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol is Cc1cnn2c(NCCc3c[nH]c4c(O)cccc34)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
The InChIKey is ZZNZCSFHMSFETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-13-9-27-29-20(8-18(28-22(13)29)15-7-16(23)12-24-10-15)25-6-5-14-11-26-21-17(14)3-2-4-19(21)30/h2-4,7-12,25-26,30H,5-6H2,1H3.
What are the key properties of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol?
3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol has a molecular weight of 402.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indol-7-ol is sourced from PubChem (CID 135376590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).