molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine

C17H22N6 — CID 159524618

IUPACmolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
SMILES[H][H].c1cc(NCC2CCCCN2)nc(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C17H20N6.H2/c1-2-9-18-12(5-1)11-20-15-8-3-7-14(21-15)16-13-6-4-10-19-17(13)23-22-16;/h3-4,6-8,10,12,18H,1-2,5,9,11H2,(H,20,21)(H,19,22,23);1H
InChIKeyMCFRDIARNQSIJN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds4

About molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine

molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 159524618) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
PubChem CID159524618
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Namemolecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine
SMILES[H][H].c1cc(NCC2CCCCN2)nc(-c2[nH]nc3ncccc23)c1
InChIInChI=1S/C17H20N6.H2/c1-2-9-18-12(5-1)11-20-15-8-3-7-14(21-15)16-13-6-4-10-19-17(13)23-22-16;/h3-4,6-8,10,12,18H,1-2,5,9,11H2,(H,20,21)(H,19,22,23);1H
InChIKeyMCFRDIARNQSIJN-UHFFFAOYSA-N
XLogP2.82
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 159223444
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol
CID 44624114
molecular hydrogen;(1S)-1-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;N-(piperidin-4-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;N-piperidin-4-yl-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine;6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 161147695
3-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]butane-1,3-diamine
CID 44603099
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
N-(piperidin-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71636800
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
molecular hydrogen;3-[6-[3-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 160853753
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424
3-[6-[[(2S)-pyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 90180876
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine (CID 159524618) is molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine is [H][H].c1cc(NCC2CCCCN2)nc(-c2[nH]nc3ncccc23)c1.
What is the InChIKey of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is MCFRDIARNQSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6.H2/c1-2-9-18-12(5-1)11-20-15-8-3-7-14(21-15)16-13-6-4-10-19-17(13)23-22-16;/h3-4,6-8,10,12,18H,1-2,5,9,11H2,(H,20,21)(H,19,22,23);1H.
What are the key properties of molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine?
molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(piperidin-2-ylmethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 159524618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).