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

C19H18F2N4O2 — CID 154697730

IUPAC(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C19H18F2N4O2/c20-10-6-13(21)11-8-16(22-15(11)7-10)19(26)25-4-3-14-12(9-25)18(24-23-14)17-2-1-5-27-17/h6-8,17,22H,1-5,9H2,(H,23,24)
InChIKeyGCVYOBKAVAQGLA-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.22
Rot. Bonds2

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

(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 154697730) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID154697730
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1
InChIInChI=1S/C19H18F2N4O2/c20-10-6-13(21)11-8-16(22-15(11)7-10)19(26)25-4-3-14-12(9-25)18(24-23-14)17-2-1-5-27-17/h6-8,17,22H,1-5,9H2,(H,23,24)
InChIKeyGCVYOBKAVAQGLA-UHFFFAOYSA-N
XLogP3.22
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-6-fluoro-1H-indol-2-yl)methanone
CID 142576723
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
[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
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 150805748
N-[5-(4,6-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylpiperidine-4-carboxamide
CID 150010082
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-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
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146783417
(3-cyclopentyloxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 142576904
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 166285155
N-cyclohexyl-5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576774

Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (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) is (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCc2[nH]nc(C3CCCO3)c2C1.
What is the InChIKey of (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is GCVYOBKAVAQGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-10-6-13(21)11-8-16(22-15(11)7-10)19(26)25-4-3-14-12(9-25)18(24-23-14)17-2-1-5-27-17/h6-8,17,22H,1-5,9H2,(H,23,24).
What are the key properties of (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
(4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 372.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-1H-indol-2-yl)-[3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 154697730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).