[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone

C23H36N6O — CID 176503662

IUPAC[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCC(C(C)N4CCN(C)CC4)CC3)cnc21
InChIInChI=1S/C23H36N6O/c1-17(2)15-29-16-25-21-13-20(14-24-22(21)29)23(30)28-7-5-19(6-8-28)18(3)27-11-9-26(4)10-12-27/h13-14,16-19H,5-12,15H2,1-4H3
InChIKeyIAICLHGQKDXQGC-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.58
Rot. Bonds5

About [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 176503662) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID176503662
Molecular FormulaC23H36N6O
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCC(C(C)N4CCN(C)CC4)CC3)cnc21
InChIInChI=1S/C23H36N6O/c1-17(2)15-29-16-25-21-13-20(14-24-22(21)29)23(30)28-7-5-19(6-8-28)18(3)27-11-9-26(4)10-12-27/h13-14,16-19H,5-12,15H2,1-4H3
InChIKeyIAICLHGQKDXQGC-UHFFFAOYSA-N
XLogP2.58
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642076
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503964
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 176500220
methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
CID 176501074
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
(1-methylbenzimidazol-5-yl)-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 125169053
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503776
[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70771527
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
N-methyl-3-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645068

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 176503662) is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone is CC(C)Cn1cnc2cc(C(=O)N3CCC(C(C)N4CCN(C)CC4)CC3)cnc21.
What is the InChIKey of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is IAICLHGQKDXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O/c1-17(2)15-29-16-25-21-13-20(14-24-22(21)29)23(30)28-7-5-19(6-8-28)18(3)27-11-9-26(4)10-12-27/h13-14,16-19H,5-12,15H2,1-4H3.
What are the key properties of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone?
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 412.58 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 176503662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).