N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine

C13H18N4 — CID 54673065

IUPACN-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
SMILESCc1[nH]nc2cncc(NC3CCCCC3)c12
InChIInChI=1S/C13H18N4/c1-9-13-11(7-14-8-12(13)17-16-9)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3,(H,16,17)
InChIKeyRULPWVJAZIXJSQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.01
Rot. Bonds2

About N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine

N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine (PubChem CID 54673065) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
PubChem CID54673065
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine
SMILESCc1[nH]nc2cncc(NC3CCCCC3)c12
InChIInChI=1S/C13H18N4/c1-9-13-11(7-14-8-12(13)17-16-9)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3,(H,16,17)
InChIKeyRULPWVJAZIXJSQ-UHFFFAOYSA-N
XLogP3.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine (CID 54673065) is N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine is Cc1[nH]nc2cncc(NC3CCCCC3)c12.
What is the InChIKey of N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
The InChIKey is RULPWVJAZIXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-13-11(7-14-8-12(13)17-16-9)15-10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine?
N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-2H-pyrazolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 54673065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).