1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone

C24H23N5O2 — CID 161424529

IUPAC1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc3cc(NC4=NCc5cccnc54)ccc23)CC1
InChIInChI=1S/C24H23N5O2/c1-16(30)28-10-12-29(13-11-28)24(31)21-6-2-4-17-14-19(7-8-20(17)21)27-23-22-18(15-26-23)5-3-9-25-22/h2-9,14H,10-13,15H2,1H3,(H,26,27)
InChIKeyBIUHKDXSQBWIJT-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.91
Rot. Bonds2

About 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 161424529) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID161424529
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc3cc(NC4=NCc5cccnc54)ccc23)CC1
InChIInChI=1S/C24H23N5O2/c1-16(30)28-10-12-29(13-11-28)24(31)21-6-2-4-17-14-19(7-8-20(17)21)27-23-22-18(15-26-23)5-3-9-25-22/h2-9,14H,10-13,15H2,1H3,(H,26,27)
InChIKeyBIUHKDXSQBWIJT-UHFFFAOYSA-N
XLogP2.91
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-N-methyl-1-N-(2-piperidin-1-ylethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158904621
1-[(3-methylcyclobutyl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158904620
1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 162030162
(1,1-dioxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 134191641
(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
CID 158866681
N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 158159052
N-(3,3-difluorocyclobutyl)-6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)-1,2-benzothiazole-3-carboxamide
CID 161047540
N-[3-chloro-4-(1-phenylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 161126434
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169103
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone (CID 161424529) is 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc3cc(NC4=NCc5cccnc54)ccc23)CC1.
What is the InChIKey of 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is BIUHKDXSQBWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16(30)28-10-12-29(13-11-28)24(31)21-6-2-4-17-14-19(7-8-20(17)21)27-23-22-18(15-26-23)5-3-9-25-22/h2-9,14H,10-13,15H2,1H3,(H,26,27).
What are the key properties of 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 413.48 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 161424529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).