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

C16H27N5 — CID 60976627

IUPAC1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1nn(C)c2ncc(CNCC(C(C)C)N(C)C)cc12
InChIInChI=1S/C16H27N5/c1-11(2)15(20(4)5)10-17-8-13-7-14-12(3)19-21(6)16(14)18-9-13/h7,9,11,15,17H,8,10H2,1-6H3
InChIKeyFZLFCVOXLMAXKC-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.95
Rot. Bonds6

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

1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 60976627) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID60976627
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCc1nn(C)c2ncc(CNCC(C(C)C)N(C)C)cc12
InChIInChI=1S/C16H27N5/c1-11(2)15(20(4)5)10-17-8-13-7-14-12(3)19-21(6)16(14)18-9-13/h7,9,11,15,17H,8,10H2,1-6H3
InChIKeyFZLFCVOXLMAXKC-UHFFFAOYSA-N
XLogP1.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 60976627) is 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is Cc1nn(C)c2ncc(CNCC(C(C)C)N(C)C)cc12.
What is the InChIKey of 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FZLFCVOXLMAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)15(20(4)5)10-17-8-13-7-14-12(3)19-21(6)16(14)18-9-13/h7,9,11,15,17H,8,10H2,1-6H3.
What are the key properties of 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 289.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 60976627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).