[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C22H24FN3O2 — CID 162749013

IUPAC[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-14(2)28-17-5-3-16(4-6-17)22(27)26-11-8-15(9-12-26)20-18-7-10-24-21(18)25-13-19(20)23/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeySPJNIIXFESSFFK-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.51
Rot. Bonds4

About [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 162749013) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID162749013
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-14(2)28-17-5-3-16(4-6-17)22(27)26-11-8-15(9-12-26)20-18-7-10-24-21(18)25-13-19(20)23/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,25)
InChIKeySPJNIIXFESSFFK-UHFFFAOYSA-N
XLogP4.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 162748993
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749049
(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 162749159
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 162748956
(5-chloro-2-pyridinyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748954
[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162748774
[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 139027232
formic acid;(4-propan-2-yloxyphenyl)-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 154919142
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
CID 162748849

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 162749013) is [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC(c3c(F)cnc4[nH]ccc34)CC2)cc1.
What is the InChIKey of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is SPJNIIXFESSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14(2)28-17-5-3-16(4-6-17)22(27)26-11-8-15(9-12-26)20-18-7-10-24-21(18)25-13-19(20)23/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 381.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 162749013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).