1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine

C14H14IN5 — CID 126523341

IUPAC1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1
InChIInChI=1S/C14H14IN5/c1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYMHALQVKHQGDGH-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.69
Rot. Bonds3

About 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine

1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 126523341) has the molecular formula C14H14IN5 and a molecular weight of 379.21 g/mol. Its IUPAC name is 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID126523341
Molecular FormulaC14H14IN5
Molecular Weight379.21 g/mol
Exact Mass379.03
IUPAC Name1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1
InChIInChI=1S/C14H14IN5/c1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYMHALQVKHQGDGH-UHFFFAOYSA-N
XLogP2.69
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine (CID 126523341) is 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1.
What is the InChIKey of 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is YMHALQVKHQGDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN5/c1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 379.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 126523341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).