[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C23H25N5O2 — CID 95826190

IUPAC[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChIInChI=1S/C23H25N5O2/c1-3-21-26-19-5-4-10-24-22(19)28(21)16-8-11-27(12-9-16)23(29)20-14-15-13-17(30-2)6-7-18(15)25-20/h4-7,10,13-14,16,25H,3,8-9,11-12H2,1-2H3
InChIKeyUYVZDNRVEOLCAX-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.96
Rot. Bonds4

About [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 95826190) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID95826190
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChIInChI=1S/C23H25N5O2/c1-3-21-26-19-5-4-10-24-22(19)28(21)16-8-11-27(12-9-16)23(29)20-14-15-13-17(30-2)6-7-18(15)25-20/h4-7,10,13-14,16,25H,3,8-9,11-12H2,1-2H3
InChIKeyUYVZDNRVEOLCAX-UHFFFAOYSA-N
XLogP3.96
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 110257772
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95826223
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
[4-[2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42276581
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
ethyl 2-[[(3S)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108456
3-(1H-imidazol-5-yl)-1-[4-[2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 171138300
N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286663

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 95826190) is [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is CCc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1.
What is the InChIKey of [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is UYVZDNRVEOLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-21-26-19-5-4-10-24-22(19)28(21)16-8-11-27(12-9-16)23(29)20-14-15-13-17(30-2)6-7-18(15)25-20/h4-7,10,13-14,16,25H,3,8-9,11-12H2,1-2H3.
What are the key properties of [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 95826190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).