N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine

C12H16N4O — CID 166385524

IUPACN-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
SMILESc1cc2cn[nH]c2nc1NCC1CCCCO1
InChIInChI=1S/C12H16N4O/c1-2-6-17-10(3-1)8-13-11-5-4-9-7-14-16-12(9)15-11/h4-5,7,10H,1-3,6,8H2,(H2,13,14,15,16)
InChIKeyOTVIPDDGJAEWTC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.94
Rot. Bonds3

About N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine

N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine (PubChem CID 166385524) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
PubChem CID166385524
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
SMILESc1cc2cn[nH]c2nc1NCC1CCCCO1
InChIInChI=1S/C12H16N4O/c1-2-6-17-10(3-1)8-13-11-5-4-9-7-14-16-12(9)15-11/h4-5,7,10H,1-3,6,8H2,(H2,13,14,15,16)
InChIKeyOTVIPDDGJAEWTC-UHFFFAOYSA-N
XLogP1.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
5-chloro-4-(oxan-2-ylmethylamino)-1H-pyridazin-6-one
CID 47407222
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
2-cyclopropyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80963825
3-nitro-6-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine (CID 166385524) is N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine is c1cc2cn[nH]c2nc1NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is OTVIPDDGJAEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-6-17-10(3-1)8-13-11-5-4-9-7-14-16-12(9)15-11/h4-5,7,10H,1-3,6,8H2,(H2,13,14,15,16).
What are the key properties of N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine?
N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 232.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 166385524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).