[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

C22H23FN4O — CID 151269573

IUPAC[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
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C56CC(C5)C6)c4C3)cc12
InChIInChI=1S/C22H23FN4O/c1-2-13-5-14(23)6-18-15(13)7-19(24-18)21(28)27-4-3-17-16(11-27)20(26-25-17)22-8-12(9-22)10-22/h5-7,12,24H,2-4,8-11H2,1H3,(H,25,26)
InChIKeyNWBHEJGQTTVRJL-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.84
Rot. Bonds3

About [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

[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 (PubChem CID 151269573) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID151269573
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[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
SMILESCCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C56CC(C5)C6)c4C3)cc12
InChIInChI=1S/C22H23FN4O/c1-2-13-5-14(23)6-18-15(13)7-19(24-18)21(28)27-4-3-17-16(11-27)20(26-25-17)22-8-12(9-22)10-22/h5-7,12,24H,2-4,8-11H2,1H3,(H,25,26)
InChIKeyNWBHEJGQTTVRJL-UHFFFAOYSA-N
XLogP3.84
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [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 with MolForge

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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
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
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-ethyl-1H-indol-2-yl)methanone
CID 142576923
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
(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
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
(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
(4-ethyl-6-fluoro-1H-indol-2-yl)-[2-[[(3R)-oxolan-3-yl]methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576459
N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576702
N-[1-(difluoromethoxymethyl)cyclopropyl]-5-(5-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576973
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 142576436

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCc1cc(F)cc2[nH]c(C(=O)N3CCc4[nH]nc(C56CC(C5)C6)c4C3)cc12.
What is the InChIKey of [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?
The InChIKey is NWBHEJGQTTVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-13-5-14(23)6-18-15(13)7-19(24-18)21(28)27-4-3-17-16(11-27)20(26-25-17)22-8-12(9-22)10-22/h5-7,12,24H,2-4,8-11H2,1H3,(H,25,26).
What are the key properties of [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?
[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 has a molecular weight of 378.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 151269573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).