4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen

C22H31N9 — CID 177246202

IUPAC4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen
SMILESCc1nc(/N=C/C=C\N)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2)CC1.[H][H].[H][H]
InChIInChI=1S/C22H27N9.2H2/c1-17-19(3-4-20(28-17)24-7-2-6-23)31-13-11-30(12-14-31)16-18-5-8-25-21(15-18)29-22-26-9-10-27-22;;/h2-10,15H,11-14,16,23H2,1H3,(H2,25,26,27,29);2*1H/b6-2-,24-7+;;
InChIKeyWPGRNFKTUUURDX-JVTQAFTNSA-N
MW421.55 g/mol
LogP3.24
Rot. Bonds7

About 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen

4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen (PubChem CID 177246202) has the molecular formula C22H31N9 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen
PubChem CID177246202
Molecular FormulaC22H31N9
Molecular Weight421.55 g/mol
Exact Mass421.27
IUPAC Name4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen
SMILESCc1nc(/N=C/C=C\N)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2)CC1.[H][H].[H][H]
InChIInChI=1S/C22H27N9.2H2/c1-17-19(3-4-20(28-17)24-7-2-6-23)31-13-11-30(12-14-31)16-18-5-8-25-21(15-18)29-22-26-9-10-27-22;;/h2-10,15H,11-14,16,23H2,1H3,(H2,25,26,27,29);2*1H/b6-2-,24-7+;;
InChIKeyWPGRNFKTUUURDX-JVTQAFTNSA-N
XLogP3.24
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen with MolForge

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Related Compounds

Glu-P 1
CID 49971
Mavorixafor
CID 11256587
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
Ngd 94-1
CID 188942
VK-19911
CID 9797240
FR-79620
CID 10421577
2-(1H-imidazol-2-yl)pyridine
CID 589313
Arpromidine
CID 65895

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen?
The IUPAC name of 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen (CID 177246202) is 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen.
What is the SMILES notation for 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen?
The canonical SMILES for 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen is Cc1nc(/N=C/C=C\N)ccc1N1CCN(Cc2ccnc(Nc3ncc[nH]3)c2)CC1.[H][H].[H][H].
What is the InChIKey of 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen?
The InChIKey is WPGRNFKTUUURDX-JVTQAFTNSA-N. The full InChI is InChI=1S/C22H27N9.2H2/c1-17-19(3-4-20(28-17)24-7-2-6-23)31-13-11-30(12-14-31)16-18-5-8-25-21(15-18)29-22-26-9-10-27-22;;/h2-10,15H,11-14,16,23H2,1H3,(H2,25,26,27,29);2*1H/b6-2-,24-7+;;.
What are the key properties of 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen?
4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen has a molecular weight of 421.55 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-[[(Z)-3-aminoprop-2-enylidene]amino]-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-N-(1H-imidazol-2-yl)pyridin-2-amine;molecular hydrogen is sourced from PubChem (CID 177246202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).