(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone

C18H19N5O — CID 167894941

IUPAC(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESO=C(c1ccnc2nc[nH]c12)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C18H19N5O/c24-18(15-6-7-20-17-16(15)21-12-22-17)23-9-8-19-14(11-23)10-13-4-2-1-3-5-13/h1-7,12,14,19H,8-11H2,(H,20,21,22)
InChIKeyLEDSXNSWRARLNB-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.61
Rot. Bonds3

About (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone

(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 167894941) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID167894941
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
SMILESO=C(c1ccnc2nc[nH]c12)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C18H19N5O/c24-18(15-6-7-20-17-16(15)21-12-22-17)23-9-8-19-14(11-23)10-13-4-2-1-3-5-13/h1-7,12,14,19H,8-11H2,(H,20,21,22)
InChIKeyLEDSXNSWRARLNB-UHFFFAOYSA-N
XLogP1.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
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(3-benzylpiperazin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 166362581
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
1-[4-benzyl-6-[(3S)-3-benzylpiperazine-1-carbonyl]pyridazin-3-yl]-3-ethylurea
CID 25184147
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
[3-[(4-fluorophenyl)methyl]piperazin-1-yl]-(7-methoxy-1H-indazol-3-yl)methanone
CID 167844040

Frequently Asked Questions

What is the IUPAC name of (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone (CID 167894941) is (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone is O=C(c1ccnc2nc[nH]c12)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is LEDSXNSWRARLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(15-6-7-20-17-16(15)21-12-22-17)23-9-8-19-14(11-23)10-13-4-2-1-3-5-13/h1-7,12,14,19H,8-11H2,(H,20,21,22).
What are the key properties of (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone?
(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 167894941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).