2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine

C21H20N6 — CID 142333796

IUPAC2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
SMILESC=C(Nc1ccc(N(C)C)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H20N6/c1-14(24-17-7-9-20(23-13-17)27(2)3)21-18-11-15(6-8-19(18)25-26-21)16-5-4-10-22-12-16/h4-13,24H,1H2,2-3H3,(H,25,26)
InChIKeyFTKDAIXVAKVTGQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.17
Rot. Bonds5

About 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine (PubChem CID 142333796) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
PubChem CID142333796
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
SMILESC=C(Nc1ccc(N(C)C)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H20N6/c1-14(24-17-7-9-20(23-13-17)27(2)3)21-18-11-15(6-8-19(18)25-26-21)16-5-4-10-22-12-16/h4-13,24H,1H2,2-3H3,(H,25,26)
InChIKeyFTKDAIXVAKVTGQ-UHFFFAOYSA-N
XLogP4.17
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine with MolForge

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460440
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460542
N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
CID 142333570
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
N-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859198
5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane
CID 142333474
N-(6-piperidin-1-yl-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450862
6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460432
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
CID 142333708

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine (CID 142333796) is 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine is C=C(Nc1ccc(N(C)C)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine?
The InChIKey is FTKDAIXVAKVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-14(24-17-7-9-20(23-13-17)27(2)3)21-18-11-15(6-8-19(18)25-26-21)16-5-4-10-22-12-16/h4-13,24H,1H2,2-3H3,(H,25,26).
What are the key properties of 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine is sourced from PubChem (CID 142333796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).