4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine

C22H22F2N4 — CID 142594418

IUPAC4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)Cc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H22F2N4/c23-20(24)12-18-17-11-14(13-3-7-25-8-4-13)1-2-19(17)28-21(18)15-5-9-26-22-16(15)6-10-27-22/h1-2,5-6,9-11,13,20,25,28H,3-4,7-8,12H2,(H,26,27)
InChIKeyTVPOVHHSXYZFEW-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.99
Rot. Bonds4

About 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142594418) has the molecular formula C22H22F2N4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID142594418
Molecular FormulaC22H22F2N4
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC Name4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)Cc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H22F2N4/c23-20(24)12-18-17-11-14(13-3-7-25-8-4-13)1-2-19(17)28-21(18)15-5-9-26-22-16(15)6-10-27-22/h1-2,5-6,9-11,13,20,25,28H,3-4,7-8,12H2,(H,26,27)
InChIKeyTVPOVHHSXYZFEW-UHFFFAOYSA-N
XLogP4.99
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
CID 134329795
2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 142594614
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
2-(2,2-diethylpiperidin-1-yl)-1-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 175040062
7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594142
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449646
N,N-diethyl-2-[1-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperidin-3-yl]acetamide
CID 155796980
2-methyl-7-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 142594625
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 142594418) is 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)Cc1c(-c2ccnc3[nH]ccc23)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TVPOVHHSXYZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4/c23-20(24)12-18-17-11-14(13-3-7-25-8-4-13)1-2-19(17)28-21(18)15-5-9-26-22-16(15)6-10-27-22/h1-2,5-6,9-11,13,20,25,28H,3-4,7-8,12H2,(H,26,27).
What are the key properties of 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 380.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142594418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).