N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C17H26N4 — CID 65084103

IUPACN-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC3CCCC(C)(C)CC3)cc12
InChIInChI=1S/C17H26N4/c1-12-15-10-14(11-18-16(15)21(4)20-12)19-13-6-5-8-17(2,3)9-7-13/h10-11,13,19H,5-9H2,1-4H3
InChIKeyZQAAYHVMAFRWJC-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.05
Rot. Bonds2

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

N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 65084103) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID65084103
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NC3CCCC(C)(C)CC3)cc12
InChIInChI=1S/C17H26N4/c1-12-15-10-14(11-18-16(15)21(4)20-12)19-13-6-5-8-17(2,3)9-7-13/h10-11,13,19H,5-9H2,1-4H3
InChIKeyZQAAYHVMAFRWJC-UHFFFAOYSA-N
XLogP4.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 65084103) is N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NC3CCCC(C)(C)CC3)cc12.
What is the InChIKey of N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is ZQAAYHVMAFRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12-15-10-14(11-18-16(15)21(4)20-12)19-13-6-5-8-17(2,3)9-7-13/h10-11,13,19H,5-9H2,1-4H3.
What are the key properties of N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 286.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcycloheptyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 65084103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).