4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile

C25H25N7 — CID 165130842

IUPAC4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1CNc1cc(NCc2cn3cc(C4CC4)ccc3n2)cnn1
InChIInChI=1S/C25H25N7/c1-16-7-18(10-26)8-17(2)23(16)13-28-24-9-21(12-29-31-24)27-11-22-15-32-14-20(19-3-4-19)5-6-25(32)30-22/h5-9,12,14-15,19H,3-4,11,13H2,1-2H3,(H2,27,28,31)
InChIKeyPUSVMZPIYNGQDC-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.71
Rot. Bonds7

About 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile

4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile (PubChem CID 165130842) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile
PubChem CID165130842
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1CNc1cc(NCc2cn3cc(C4CC4)ccc3n2)cnn1
InChIInChI=1S/C25H25N7/c1-16-7-18(10-26)8-17(2)23(16)13-28-24-9-21(12-29-31-24)27-11-22-15-32-14-20(19-3-4-19)5-6-25(32)30-22/h5-9,12,14-15,19H,3-4,11,13H2,1-2H3,(H2,27,28,31)
InChIKeyPUSVMZPIYNGQDC-UHFFFAOYSA-N
XLogP4.71
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile with MolForge

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Related Compounds

N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165131574
4-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-6-methoxypyridine-2,4-diamine
CID 165133240
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
CID 165131140
(1S)-N-[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 175507744
4-[(4-carbamimidoyl-2,6-dimethylphenyl)methylamino]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylic acid;formic acid
CID 174173365
tert-butyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 165131145
3-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-6-[[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenyl]methylamino]pyrimidin-2-yl]propanoic acid;formic acid
CID 174202940
[N'-[[4-[[[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-yl]amino]methyl]-3,5-dimethylphenyl]methyl]carbamimidoyl]oxymethyl acetate
CID 170695370
4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
CID 165134449
trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165133671
2-(6-chloroindol-1-yl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]acetamide;ethane
CID 165131350
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1,2-dicarboxamide
CID 175616966

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile (CID 165130842) is 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1CNc1cc(NCc2cn3cc(C4CC4)ccc3n2)cnn1.
What is the InChIKey of 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile?
The InChIKey is PUSVMZPIYNGQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-16-7-18(10-26)8-17(2)23(16)13-28-24-9-21(12-29-31-24)27-11-22-15-32-14-20(19-3-4-19)5-6-25(32)30-22/h5-9,12,14-15,19H,3-4,11,13H2,1-2H3,(H2,27,28,31).
What are the key properties of 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile?
4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile has a molecular weight of 423.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridazin-3-yl]amino]methyl]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 165130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).