2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide

C29H37N7O2 — CID 162773679

IUPAC2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
SMILESCNCc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(=O)NC(C)C)c2C)CC1
InChIInChI=1S/C29H37N7O2/c1-18(2)33-29(37)24-7-6-8-27(19(24)3)38-23-11-9-22(10-12-23)36-26-13-21(15-30-4)31-16-25(26)28(34-36)20-14-32-35(5)17-20/h6-8,13-14,16-18,22-23,30H,9-12,15H2,1-5H3,(H,33,37)
InChIKeyWQURIRYZXSSJJO-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.56
Rot. Bonds8

About 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide

2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide (PubChem CID 162773679) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
PubChem CID162773679
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide
SMILESCNCc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(=O)NC(C)C)c2C)CC1
InChIInChI=1S/C29H37N7O2/c1-18(2)33-29(37)24-7-6-8-27(19(24)3)38-23-11-9-22(10-12-23)36-26-13-21(15-30-4)31-16-25(26)28(34-36)20-14-32-35(5)17-20/h6-8,13-14,16-18,22-23,30H,9-12,15H2,1-5H3,(H,33,37)
InChIKeyWQURIRYZXSSJJO-UHFFFAOYSA-N
XLogP4.56
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?
The IUPAC name of 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide (CID 162773679) is 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide is CNCc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(=O)NC(C)C)c2C)CC1.
What is the InChIKey of 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?
The InChIKey is WQURIRYZXSSJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-18(2)33-29(37)24-7-6-8-27(19(24)3)38-23-11-9-22(10-12-23)36-26-13-21(15-30-4)31-16-25(26)28(34-36)20-14-32-35(5)17-20/h6-8,13-14,16-18,22-23,30H,9-12,15H2,1-5H3,(H,33,37).
What are the key properties of 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide?
2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide has a molecular weight of 515.66 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[6-(methylaminomethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 162773679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).