3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine

C28H41N7 — CID 134342150

IUPAC3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
SMILES[H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)cc(C)nc1NC
InChIInChI=1S/C28H41N7/c1-20-16-25(22(17-29)26(30-3)31-20)33-15-6-24-23(18-33)21(2)32-35(24)19-27-7-10-28(11-8-27,12-9-27)34-13-4-5-14-34/h16-17,29H,4-15,18-19H2,1-3H3,(H,30,31)/b29-17+
InChIKeyNVHYJTVPQMIPCS-STBIYBPSSA-N
MW475.69 g/mol
LogP4.69
Rot. Bonds6

About 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)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-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine (PubChem CID 134342150) has the molecular formula C28H41N7 and a molecular weight of 475.69 g/mol. Its IUPAC name is 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
PubChem CID134342150
Molecular FormulaC28H41N7
Molecular Weight475.69 g/mol
Exact Mass475.34
IUPAC Name3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine
SMILES[H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)cc(C)nc1NC
InChIInChI=1S/C28H41N7/c1-20-16-25(22(17-29)26(30-3)31-20)33-15-6-24-23(18-33)21(2)32-35(24)19-27-7-10-28(11-8-27,12-9-27)34-13-4-5-14-34/h16-17,29H,4-15,18-19H2,1-3H3,(H,30,31)/b29-17+
InChIKeyNVHYJTVPQMIPCS-STBIYBPSSA-N
XLogP4.69
TPSA73.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.69
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)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-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine (CID 134342150) is 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)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-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)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-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine is [H]/N=C/c1c(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)cc(C)nc1NC.
What is the InChIKey of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine?
The InChIKey is NVHYJTVPQMIPCS-STBIYBPSSA-N. The full InChI is InChI=1S/C28H41N7/c1-20-16-25(22(17-29)26(30-3)31-20)33-15-6-24-23(18-33)21(2)32-35(24)19-27-7-10-28(11-8-27,12-9-27)34-13-4-5-14-34/h16-17,29H,4-15,18-19H2,1-3H3,(H,30,31)/b29-17+.
What are the key properties of 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)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-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine has a molecular weight of 475.69 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-N,6-dimethyl-4-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 134342150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).