(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C24H23N5O2 — CID 172834628

IUPAC(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-5-2-16(3-6-19)23(30)21-15-28-24-20(21)12-18(14-27-24)17-4-7-22(26-13-17)29-10-8-25-9-11-29/h2-7,12-15,25H,8-11H2,1H3,(H,27,28)
InChIKeyVZGFGWZOHRBUEK-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.27
Rot. Bonds5

About (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 172834628) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID172834628
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-5-2-16(3-6-19)23(30)21-15-28-24-20(21)12-18(14-27-24)17-4-7-22(26-13-17)29-10-8-25-9-11-29/h2-7,12-15,25H,8-11H2,1H3,(H,27,28)
InChIKeyVZGFGWZOHRBUEK-UHFFFAOYSA-N
XLogP3.27
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-difluoro-3-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]cyclohexanesulfonamide
CID 166900329
tert-butyl 4-[4-[3-(4-fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 175198766
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
3-(2,3-dihydro-1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 70225347
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
[4-(phenoxymethyl)phenyl]-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 122183116
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
ethane;[5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-2-ylmethanone
CID 142527683
4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
CID 25055156
3-[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123739902
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(3-amino-2,6-difluorophenyl)-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;propane-1-sulfonic acid
CID 172819494

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 172834628) is (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is COc1ccc(C(=O)c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is VZGFGWZOHRBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-5-2-16(3-6-19)23(30)21-15-28-24-20(21)12-18(14-27-24)17-4-7-22(26-13-17)29-10-8-25-9-11-29/h2-7,12-15,25H,8-11H2,1H3,(H,27,28).
What are the key properties of (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
(4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 413.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 172834628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).