[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone

C22H19FN4O — CID 46994611

IUPAC[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c2ccccc21
InChIInChI=1S/C22H19FN4O/c1-26-12-16(14-6-3-5-9-20(14)26)22(28)27-11-10-19-17(13-27)21(25-24-19)15-7-2-4-8-18(15)23/h2-9,12H,10-11,13H2,1H3,(H,24,25)
InChIKeyRCSTUVQWTHNQFN-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.91
Rot. Bonds2

About [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone

[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone (PubChem CID 46994611) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
PubChem CID46994611
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c2ccccc21
InChIInChI=1S/C22H19FN4O/c1-26-12-16(14-6-3-5-9-20(14)26)22(28)27-11-10-19-17(13-27)21(25-24-19)15-7-2-4-8-18(15)23/h2-9,12H,10-11,13H2,1H3,(H,24,25)
InChIKeyRCSTUVQWTHNQFN-UHFFFAOYSA-N
XLogP3.91
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577
2,3-dihydro-1-benzofuran-2-yl-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46986438
1-[2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 25287605
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
3-(2-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
1H-indazol-3-yl-[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46996698
[3-(2-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-quinolin-4-ylmethanone
CID 46989139
(1-methylindol-3-yl)-[8-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]methanone
CID 56762839
(2S)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 56745050

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone (CID 46994611) is [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c2ccccc21.
What is the InChIKey of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is RCSTUVQWTHNQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-26-12-16(14-6-3-5-9-20(14)26)22(28)27-11-10-19-17(13-27)21(25-24-19)15-7-2-4-8-18(15)23/h2-9,12H,10-11,13H2,1H3,(H,24,25).
What are the key properties of [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone?
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 374.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 46994611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).