1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone

C12H15N5O — CID 10332110

IUPAC1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12(18)11-14-9-3-2-4-13-10(9)15-11/h2-4H,5-8H2,1H3,(H,13,14,15)
InChIKeyCTJLFRASGVUOBE-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.35
Rot. Bonds1

About 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone

1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 10332110) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID10332110
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12(18)11-14-9-3-2-4-13-10(9)15-11/h2-4H,5-8H2,1H3,(H,13,14,15)
InChIKeyCTJLFRASGVUOBE-UHFFFAOYSA-N
XLogP0.35
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazo[4,5-b]pyridin-2-yl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 1280814
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 10360375
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(4,6-difluoro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 11778395
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-imidazo[4,5-b]pyridine-2-carbothioamide
CID 86130577
(4-chloro-5-methyl-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021875
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone (CID 10332110) is 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CTJLFRASGVUOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-5-7-17(8-6-16)12(18)11-14-9-3-2-4-13-10(9)15-11/h2-4H,5-8H2,1H3,(H,13,14,15).
What are the key properties of 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone?
1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 245.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10332110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).