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

C22H19FN6O2 — CID 140944585

IUPAC3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol
SMILESCc1cnn2c(NCCc3c[nH]c4c(O)cc(O)cc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c1-12-8-27-29-20(7-18(28-22(12)29)14-4-15(23)11-24-9-14)25-3-2-13-10-26-21-17(13)5-16(30)6-19(21)31/h4-11,25-26,30-31H,2-3H2,1H3
InChIKeySRKMTNJSKGLWDP-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.79
Rot. Bonds5

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

3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol (PubChem CID 140944585) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol.

Molecular Properties

Compound Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol
PubChem CID140944585
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol
SMILESCc1cnn2c(NCCc3c[nH]c4c(O)cc(O)cc34)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C22H19FN6O2/c1-12-8-27-29-20(7-18(28-22(12)29)14-4-15(23)11-24-9-14)25-3-2-13-10-26-21-17(13)5-16(30)6-19(21)31/h4-11,25-26,30-31H,2-3H2,1H3
InChIKeySRKMTNJSKGLWDP-UHFFFAOYSA-N
XLogP3.79
TPSA111.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol with MolForge

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Related Compounds

5-(5-fluoro-3-pyridinyl)-3-methyl-N-[2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 140944634
5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)propyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 135376544
(2R)-2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 142460267
[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
CID 135376370
tert-butyl 4-[5-(5-fluoro-3-pyridinyl)-7-[2-(1H-indol-3-yl)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 135376549
5-(5-fluoro-3-pyridinyl)-3-propan-2-yl-N-[2-(5-propyl-1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460309
ethane;2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol
CID 142460417
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 167320617
N-[2-(1H-indol-3-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460354
7-chloro-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidine;2-(5H-cyclopenta[b]pyridin-7-yl)ethanamine;N-[2-(5H-cyclopenta[b]pyridin-7-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158606271
N-[2-(3H-inden-1-yl)ethyl]-3-methyl-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159630368
5-(5-fluoro-3-pyridinyl)-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 140944726

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-indole-5,7-diol?
The IUPAC name of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol (CID 140944585) is 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol.
What is the SMILES notation for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol?
The canonical SMILES for 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol is Cc1cnn2c(NCCc3c[nH]c4c(O)cc(O)cc34)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-indole-5,7-diol?
The InChIKey is SRKMTNJSKGLWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-12-8-27-29-20(7-18(28-22(12)29)14-4-15(23)11-24-9-14)25-3-2-13-10-26-21-17(13)5-16(30)6-19(21)31/h4-11,25-26,30-31H,2-3H2,1H3.
What are the key properties of 3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol?
3-[2-[[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1H-indole-5,7-diol has a molecular weight of 418.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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-indole-5,7-diol is sourced from PubChem (CID 140944585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).