(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone

C21H23FN4O — CID 142576723

IUPAC(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C5CCC5)c4C3)cc12
InChIInChI=1S/C21H23FN4O/c1-2-12-8-14(22)9-18-15(12)10-19(23-18)21(27)26-7-6-17-16(11-26)20(25-24-17)13-4-3-5-13/h8-10,13,23H,2-7,11H2,1H3,(H,24,25)
InChIKeyXVYLCRNTTOSAEW-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.06
Rot. Bonds3

About (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone (PubChem CID 142576723) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
PubChem CID142576723
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C5CCC5)c4C3)cc12
InChIInChI=1S/C21H23FN4O/c1-2-12-8-14(22)9-18-15(12)10-19(23-18)21(27)26-7-6-17-16(11-26)20(25-24-17)13-4-3-5-13/h8-10,13,23H,2-7,11H2,1H3,(H,24,25)
InChIKeyXVYLCRNTTOSAEW-UHFFFAOYSA-N
XLogP4.06
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
[3-(1-bicyclo[1.1.1]pentanyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 151269573
(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154697730
N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576888
5-(4,6-difluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576627
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(1-propylpiperidin-4-yl)ethanone
CID 50954190
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576716
1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 31003834
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[(1-hydroxycyclobutyl)methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 150918452
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone (CID 142576723) is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone is CCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C5CCC5)c4C3)cc12.
What is the InChIKey of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone?
The InChIKey is XVYLCRNTTOSAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-2-12-8-14(22)9-18-15(12)10-19(23-18)21(27)26-7-6-17-16(11-26)20(25-24-17)13-4-3-5-13/h8-10,13,23H,2-7,11H2,1H3,(H,24,25).
What are the key properties of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone?
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone has a molecular weight of 366.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 142576723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).