[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone

C22H26N4O2 — CID 89134336

IUPAC[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
SMILESC=C1C=Cc2cc(C(=O)N3CCNCC3)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)28-19-8-6-18(7-9-19)26-16(3)4-5-17-14-20(24-21(17)26)22(27)25-12-10-23-11-13-25/h4-9,14-15,23-24H,3,10-13H2,1-2H3
InChIKeyKPGJZMTUSYJJCX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.53
Rot. Bonds4

About [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone

[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 89134336) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
PubChem CID89134336
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone
SMILESC=C1C=Cc2cc(C(=O)N3CCNCC3)[nH]c2N1c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H26N4O2/c1-15(2)28-19-8-6-18(7-9-19)26-16(3)4-5-17-14-20(24-21(17)26)22(27)25-12-10-23-11-13-25/h4-9,14-15,23-24H,3,10-13H2,1-2H3
InChIKeyKPGJZMTUSYJJCX-UHFFFAOYSA-N
XLogP3.53
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 89134288
N-methyl-6-methylidene-N-propan-2-yl-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 89134359
6-methylidene-7-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone;[6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 160687971
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421
1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 54096458
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538

Frequently Asked Questions

What is the IUPAC name of [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone (CID 89134336) is [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone is C=C1C=Cc2cc(C(=O)N3CCNCC3)[nH]c2N1c1ccc(OC(C)C)cc1.
What is the InChIKey of [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KPGJZMTUSYJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)28-19-8-6-18(7-9-19)26-16(3)4-5-17-14-20(24-21(17)26)22(27)25-12-10-23-11-13-25/h4-9,14-15,23-24H,3,10-13H2,1-2H3.
What are the key properties of [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone?
[6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 378.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 89134336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).