N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H21N5 — CID 63032802

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nn(C)c2ncc(CNCCN(C)C)cc12
InChIInChI=1S/C13H21N5/c1-10-12-7-11(8-14-5-6-17(2)3)9-15-13(12)18(4)16-10/h7,9,14H,5-6,8H2,1-4H3
InChIKeyQFJGNFBJVPZZRW-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.93
Rot. Bonds5

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 63032802) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID63032802
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nn(C)c2ncc(CNCCN(C)C)cc12
InChIInChI=1S/C13H21N5/c1-10-12-7-11(8-14-5-6-17(2)3)9-15-13(12)18(4)16-10/h7,9,14H,5-6,8H2,1-4H3
InChIKeyQFJGNFBJVPZZRW-UHFFFAOYSA-N
XLogP0.93
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 60976627
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 60976315
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991547
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 63032802) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine is Cc1nn(C)c2ncc(CNCCN(C)C)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QFJGNFBJVPZZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-12-7-11(8-14-5-6-17(2)3)9-15-13(12)18(4)16-10/h7,9,14H,5-6,8H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).