N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C27H34N8O — CID 138715245

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN2CCCC2)CC1
InChIInChI=1S/C27H34N8O/c1-28-26-14-24-22(16-30-26)27(19-15-31-33(2)17-19)32-35(24)20-7-9-21(10-8-20)36-25-6-5-11-29-23(25)18-34-12-3-4-13-34/h5-6,11,14-17,20-21H,3-4,7-10,12-13,18H2,1-2H3,(H,28,30)
InChIKeyNIGMHJHMCSAYFE-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.43
Rot. Bonds7

About N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715245) has the molecular formula C27H34N8O and a molecular weight of 486.62 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715245
Molecular FormulaC27H34N8O
Molecular Weight486.62 g/mol
Exact Mass486.29
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN2CCCC2)CC1
InChIInChI=1S/C27H34N8O/c1-28-26-14-24-22(16-30-26)27(19-15-31-33(2)17-19)32-35(24)20-7-9-21(10-8-20)36-25-6-5-11-29-23(25)18-34-12-3-4-13-34/h5-6,11,14-17,20-21H,3-4,7-10,12-13,18H2,1-2H3,(H,28,30)
InChIKeyNIGMHJHMCSAYFE-UHFFFAOYSA-N
XLogP4.43
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715245) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN2CCCC2)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is NIGMHJHMCSAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O/c1-28-26-14-24-22(16-30-26)27(19-15-31-33(2)17-19)32-35(24)20-7-9-21(10-8-20)36-25-6-5-11-29-23(25)18-34-12-3-4-13-34/h5-6,11,14-17,20-21H,3-4,7-10,12-13,18H2,1-2H3,(H,28,30).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 486.62 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[2-(pyrrolidin-1-ylmethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).