1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine

C20H24N10 — CID 12011903

IUPAC1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine
SMILESNc1cnn(Cc2cccc(CCc3cccc(Cn4ncc(N)c4N)n3)n2)c1N
InChIInChI=1S/C20H24N10/c21-17-9-25-29(19(17)23)11-15-5-1-3-13(27-15)7-8-14-4-2-6-16(28-14)12-30-20(24)18(22)10-26-30/h1-6,9-10H,7-8,11-12,21-24H2
InChIKeyZZCNHSJEZVMVQW-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.08
Rot. Bonds7

About 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine

1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine (PubChem CID 12011903) has the molecular formula C20H24N10 and a molecular weight of 404.48 g/mol. Its IUPAC name is 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine
PubChem CID12011903
Molecular FormulaC20H24N10
Molecular Weight404.48 g/mol
Exact Mass404.22
IUPAC Name1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine
SMILESNc1cnn(Cc2cccc(CCc3cccc(Cn4ncc(N)c4N)n3)n2)c1N
InChIInChI=1S/C20H24N10/c21-17-9-25-29(19(17)23)11-15-5-1-3-13(27-15)7-8-14-4-2-6-16(28-14)12-30-20(24)18(22)10-26-30/h1-6,9-10H,7-8,11-12,21-24H2
InChIKeyZZCNHSJEZVMVQW-UHFFFAOYSA-N
XLogP1.08
TPSA165.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine (CID 12011903) is 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine is Nc1cnn(Cc2cccc(CCc3cccc(Cn4ncc(N)c4N)n3)n2)c1N.
What is the InChIKey of 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine?
The InChIKey is ZZCNHSJEZVMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N10/c21-17-9-25-29(19(17)23)11-15-5-1-3-13(27-15)7-8-14-4-2-6-16(28-14)12-30-20(24)18(22)10-26-30/h1-6,9-10H,7-8,11-12,21-24H2.
What are the key properties of 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine?
1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine has a molecular weight of 404.48 g/mol, XLogP of 1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[2-[6-[(4,5-diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12011903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).