(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

C22H22FN5O — CID 127682709

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C22H22FN5O/c1-13-21(14(2)28-20(26-13)5-8-25-28)22(29)27-9-6-15(7-10-27)18-12-24-19-11-16(23)3-4-17(18)19/h3-5,8,11-12,15,24H,6-7,9-10H2,1-2H3
InChIKeyUEVHLMUTTXHSIJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.99
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 127682709) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID127682709
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C22H22FN5O/c1-13-21(14(2)28-20(26-13)5-8-25-28)22(29)27-9-6-15(7-10-27)18-12-24-19-11-16(23)3-4-17(18)19/h3-5,8,11-12,15,24H,6-7,9-10H2,1-2H3
InChIKeyUEVHLMUTTXHSIJ-UHFFFAOYSA-N
XLogP3.99
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129352492
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 166234711
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone (CID 127682709) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone is Cc1nc2ccnn2c(C)c1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UEVHLMUTTXHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-13-21(14(2)28-20(26-13)5-8-25-28)22(29)27-9-6-15(7-10-27)18-12-24-19-11-16(23)3-4-17(18)19/h3-5,8,11-12,15,24H,6-7,9-10H2,1-2H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).