[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone

C27H29N5O3 — CID 143435161

IUPAC[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOCCCOc1cccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCNCC5)cc4)[nH]c23)c1
InChIInChI=1S/C27H29N5O3/c1-34-16-3-17-35-22-5-2-4-21(18-22)23-10-11-29-26-24(23)30-25(31-26)19-6-8-20(9-7-19)27(33)32-14-12-28-13-15-32/h2,4-11,18,28H,3,12-17H2,1H3,(H,29,30,31)
InChIKeyKOSWUTDJDRKHOK-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.75
Rot. Bonds8

About [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone

[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 143435161) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID143435161
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESCOCCCOc1cccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCNCC5)cc4)[nH]c23)c1
InChIInChI=1S/C27H29N5O3/c1-34-16-3-17-35-22-5-2-4-21(18-22)23-10-11-29-26-24(23)30-25(31-26)19-6-8-20(9-7-19)27(33)32-14-12-28-13-15-32/h2,4-11,18,28H,3,12-17H2,1H3,(H,29,30,31)
InChIKeyKOSWUTDJDRKHOK-UHFFFAOYSA-N
XLogP3.75
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
CID 119401946
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1-[2-methyl-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-3-(4-methylphenyl)imidazol-2-one
CID 121249781
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
1-[3-(3-methoxypropoxy)phenyl]-5-phenyl-4-(piperazine-1-carbonyl)-3-prop-2-enylimidazol-2-one
CID 59292777
[4-[6-bromo-7-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 25095656
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-methoxypropoxy)phenyl]methanone
CID 120656604
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 109460416
3-[[6-chloro-2-[4-(piperazine-1-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 123935856

Frequently Asked Questions

What is the IUPAC name of [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 143435161) is [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone is COCCCOc1cccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCNCC5)cc4)[nH]c23)c1.
What is the InChIKey of [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is KOSWUTDJDRKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-16-3-17-35-22-5-2-4-21(18-22)23-10-11-29-26-24(23)30-25(31-26)19-6-8-20(9-7-19)27(33)32-14-12-28-13-15-32/h2,4-11,18,28H,3,12-17H2,1H3,(H,29,30,31).
What are the key properties of [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone?
[4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 471.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[3-(3-methoxypropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 143435161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).