N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen

C15H17IN4O2 — CID 160683192

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
SMILESCOc1ccc(CNc2nccc3n[nH]c(I)c23)c(OC)c1.[H][H]
InChIInChI=1S/C15H15IN4O2.H2/c1-21-10-4-3-9(12(7-10)22-2)8-18-15-13-11(5-6-17-15)19-20-14(13)16;/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20);1H
InChIKeyROKNOKLPBZCVNO-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.44
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen

N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen (PubChem CID 160683192) has the molecular formula C15H17IN4O2 and a molecular weight of 412.23 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
PubChem CID160683192
Molecular FormulaC15H17IN4O2
Molecular Weight412.23 g/mol
Exact Mass412.04
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
SMILESCOc1ccc(CNc2nccc3n[nH]c(I)c23)c(OC)c1.[H][H]
InChIInChI=1S/C15H15IN4O2.H2/c1-21-10-4-3-9(12(7-10)22-2)8-18-15-13-11(5-6-17-15)19-20-14(13)16;/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20);1H
InChIKeyROKNOKLPBZCVNO-UHFFFAOYSA-N
XLogP3.44
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178132467
ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168946264
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 146443724
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen (CID 160683192) is N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen is COc1ccc(CNc2nccc3n[nH]c(I)c23)c(OC)c1.[H][H].
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen?
The InChIKey is ROKNOKLPBZCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4O2.H2/c1-21-10-4-3-9(12(7-10)22-2)8-18-15-13-11(5-6-17-15)19-20-14(13)16;/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20);1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen?
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen has a molecular weight of 412.23 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen is sourced from PubChem (CID 160683192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).