4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine

C14H14N8 — CID 89050922

IUPAC4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(c1ncnc3[nH]ncc13)C2
InChIInChI=1S/C14H14N8/c15-3-10-9-1-2-22(6-8(9)4-17-12(10)16)14-11-5-20-21-13(11)18-7-19-14/h3-5,7,15H,1-2,6H2,(H2,16,17)(H,18,19,20,21)/b15-3+
InChIKeyJIZWTYUGVNZBTC-CRKCGEKBSA-N
MW294.32 g/mol
LogP0.89
Rot. Bonds2

About 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine

4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine (PubChem CID 89050922) has the molecular formula C14H14N8 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine
PubChem CID89050922
Molecular FormulaC14H14N8
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(c1ncnc3[nH]ncc13)C2
InChIInChI=1S/C14H14N8/c15-3-10-9-1-2-22(6-8(9)4-17-12(10)16)14-11-5-20-21-13(11)18-7-19-14/h3-5,7,15H,1-2,6H2,(H2,16,17)(H,18,19,20,21)/b15-3+
InChIKeyJIZWTYUGVNZBTC-CRKCGEKBSA-N
XLogP0.89
TPSA120.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The IUPAC name of 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine (CID 89050922) is 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine.
What is the SMILES notation for 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The canonical SMILES for 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine is [H]/N=C/c1c(N)ncc2c1CCN(c1ncnc3[nH]ncc13)C2.
What is the InChIKey of 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The InChIKey is JIZWTYUGVNZBTC-CRKCGEKBSA-N. The full InChI is InChI=1S/C14H14N8/c15-3-10-9-1-2-22(6-8(9)4-17-12(10)16)14-11-5-20-21-13(11)18-7-19-14/h3-5,7,15H,1-2,6H2,(H2,16,17)(H,18,19,20,21)/b15-3+.
What are the key properties of 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine has a molecular weight of 294.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine is sourced from PubChem (CID 89050922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).