3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine

C28H41N7O — CID 134342178

About 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine

3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine (PubChem CID 134342178) has the molecular formula C28H41N7O and a molecular weight of 491.68 g/mol. Its IUPAC name is 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
• PubChem CID: 134342178
• Molecular Formula: C28H41N7O
• Molecular Weight: 491.68 g/mol
• Exact Mass: 491.34
• IUPAC Name: 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
• SMILES: [H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(N5CCOC[C@H]5C)(CC3)C4)C2)cc(C)nc1NC
• InChI: InChI=1S/C28H41N7O/c1-19-13-25(22(14-29)26(30-4)31-19)33-10-5-24-23(15-33)21(3)32-35(24)18-27-6-8-28(17-27,9-7-27)34-11-12-36-16-20(34)2/h13-14,20,29H,5-12,15-18H2,1-4H3,(H,30,31)/b29-14+/t20-,27?,28?/m1/s1
• InChIKey: PRVOGIRDHCKAMY-QOJDJRJYSA-N
• XLogP: 3.92
• TPSA: 82.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.68
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine?

The IUPAC name of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine (CID 134342178) is 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine.

What is the SMILES notation for 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine?

The canonical SMILES for 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine is [H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(N5CCOC[C@H]5C)(CC3)C4)C2)cc(C)nc1NC.

What is the InChIKey of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine?

The InChIKey is PRVOGIRDHCKAMY-QOJDJRJYSA-N. The full InChI is InChI=1S/C28H41N7O/c1-19-13-25(22(14-29)26(30-4)31-19)33-10-5-24-23(15-33)21(3)32-35(24)18-27-6-8-28(17-27,9-7-27)34-11-12-36-16-20(34)2/h13-14,20,29H,5-12,15-18H2,1-4H3,(H,30,31)/b29-14+/t20-,27?,28?/m1/s1.

What are the key properties of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine?

3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine has a molecular weight of 491.68 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[[4-[(3R)-3-methylmorpholin-4-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 134342178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).