1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H15N7 — CID 56730155

IUPAC1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2-c1ccccn1)c1ccccn1
InChIInChI=1S/C17H15N7/c1-12(14-6-2-4-8-18-14)23-16-13-10-22-24(17(13)21-11-20-16)15-7-3-5-9-19-15/h2-12H,1H3,(H,20,21,23)
InChIKeyLBUKROWSPNWLJT-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.78
Rot. Bonds4

About 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56730155) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56730155
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2-c1ccccn1)c1ccccn1
InChIInChI=1S/C17H15N7/c1-12(14-6-2-4-8-18-14)23-16-13-10-22-24(17(13)21-11-20-16)15-7-3-5-9-19-15/h2-12H,1H3,(H,20,21,23)
InChIKeyLBUKROWSPNWLJT-UHFFFAOYSA-N
XLogP2.78
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 84818542
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133292475
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-(3-chloro-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476768
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
4-[4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]phenol
CID 59447546
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103294424
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 41194411

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 56730155) is 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(Nc1ncnc2c1cnn2-c1ccccn1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LBUKROWSPNWLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-12(14-6-2-4-8-18-14)23-16-13-10-22-24(17(13)21-11-20-16)15-7-3-5-9-19-15/h2-12H,1H3,(H,20,21,23).
What are the key properties of 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-(1-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56730155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).