2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine

C21H21N7 — CID 127041163

IUPAC2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine
SMILESCc1cccn2c(NCc3ccc(N=C(N)N)cc3)c(-c3cccnc3)nc12
InChIInChI=1S/C21H21N7/c1-14-4-3-11-28-19(14)27-18(16-5-2-10-24-13-16)20(28)25-12-15-6-8-17(9-7-15)26-21(22)23/h2-11,13,25H,12H2,1H3,(H4,22,23,26)
InChIKeyVEEFOEDPARCWAI-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.22
Rot. Bonds5

About 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine

2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine (PubChem CID 127041163) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine
PubChem CID127041163
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine
SMILESCc1cccn2c(NCc3ccc(N=C(N)N)cc3)c(-c3cccnc3)nc12
InChIInChI=1S/C21H21N7/c1-14-4-3-11-28-19(14)27-18(16-5-2-10-24-13-16)20(28)25-12-15-6-8-17(9-7-15)26-21(22)23/h2-11,13,25H,12H2,1H3,(H4,22,23,26)
InChIKeyVEEFOEDPARCWAI-UHFFFAOYSA-N
XLogP3.22
TPSA106.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
CID 127040833
2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134209
N-benzyl-8-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 808812
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
4-O-[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 1-O-ethyl butanedioate
CID 4990255
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
CID 42743727
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] heptanoate
CID 4253763
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 3997507
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2,2-dimethylpropanoate
CID 42743732
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-thiophen-2-ylacetate
CID 4683603
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5-dimethoxybenzoate
CID 3994721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine?
The IUPAC name of 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine (CID 127041163) is 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine is Cc1cccn2c(NCc3ccc(N=C(N)N)cc3)c(-c3cccnc3)nc12.
What is the InChIKey of 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine?
The InChIKey is VEEFOEDPARCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-14-4-3-11-28-19(14)27-18(16-5-2-10-24-13-16)20(28)25-12-15-6-8-17(9-7-15)26-21(22)23/h2-11,13,25H,12H2,1H3,(H4,22,23,26).
What are the key properties of 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine?
2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine has a molecular weight of 371.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine is sourced from PubChem (CID 127041163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).