N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine

C15H24N4 — CID 62403177

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C15H24N4/c1-5-7-13(6-2)16-9-12-8-14-11(3)18-19(4)15(14)17-10-12/h8,10,13,16H,5-7,9H2,1-4H3
InChIKeyDBDDAJBRHDWSQX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.95
Rot. Bonds6

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine (PubChem CID 62403177) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
PubChem CID62403177
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C15H24N4/c1-5-7-13(6-2)16-9-12-8-14-11(3)18-19(4)15(14)17-10-12/h8,10,13,16H,5-7,9H2,1-4H3
InChIKeyDBDDAJBRHDWSQX-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine (CID 62403177) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine is CCCC(CC)NCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine?
The InChIKey is DBDDAJBRHDWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-7-13(6-2)16-9-12-8-14-11(3)18-19(4)15(14)17-10-12/h8,10,13,16H,5-7,9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine is sourced from PubChem (CID 62403177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).