1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine

C19H21N5 — CID 142333283

IUPAC1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine
SMILESC=C(C)c1n[nH]c2ccc(-c3cncc(NC(=C)N(C)C)c3)cc12
InChIInChI=1S/C19H21N5/c1-12(2)19-17-9-14(6-7-18(17)22-23-19)15-8-16(11-20-10-15)21-13(3)24(4)5/h6-11,21H,1,3H2,2,4-5H3,(H,22,23)
InChIKeyRLRRNFOMMITIJW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.10
Rot. Bonds5

About 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine

1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine (PubChem CID 142333283) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine
PubChem CID142333283
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine
SMILESC=C(C)c1n[nH]c2ccc(-c3cncc(NC(=C)N(C)C)c3)cc12
InChIInChI=1S/C19H21N5/c1-12(2)19-17-9-14(6-7-18(17)22-23-19)15-8-16(11-20-10-15)21-13(3)24(4)5/h6-11,21H,1,3H2,2,4-5H3,(H,22,23)
InChIKeyRLRRNFOMMITIJW-UHFFFAOYSA-N
XLogP4.10
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine with MolForge

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Related Compounds

5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane
CID 142333474
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252682
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
N-[1-[5-[5-(1-cyclopropylethenylamino)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-methylpyridin-3-amine;ethane;ethene
CID 142333570
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine (CID 142333283) is 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine is C=C(C)c1n[nH]c2ccc(-c3cncc(NC(=C)N(C)C)c3)cc12.
What is the InChIKey of 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine?
The InChIKey is RLRRNFOMMITIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12(2)19-17-9-14(6-7-18(17)22-23-19)15-8-16(11-20-10-15)21-13(3)24(4)5/h6-11,21H,1,3H2,2,4-5H3,(H,22,23).
What are the key properties of 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine?
1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-1-N-[5-(3-prop-1-en-2-yl-1H-indazol-5-yl)-3-pyridinyl]ethene-1,1-diamine is sourced from PubChem (CID 142333283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).