methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate

C24H27N7O3 — CID 138682758

IUPACmethyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(=O)OC)CC1
InChIInChI=1S/C24H27N7O3/c1-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)34-20-5-4-10-26-23(20)24(32)33-3/h4-5,10-14,16-17H,6-9H2,1-3H3,(H,25,27)
InChIKeyVSOINEKSRSZPEM-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.62
Rot. Bonds6

About methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate

methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate (PubChem CID 138682758) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate
PubChem CID138682758
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Namemethyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(=O)OC)CC1
InChIInChI=1S/C24H27N7O3/c1-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)34-20-5-4-10-26-23(20)24(32)33-3/h4-5,10-14,16-17H,6-9H2,1-3H3,(H,25,27)
InChIKeyVSOINEKSRSZPEM-UHFFFAOYSA-N
XLogP3.62
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate?
The IUPAC name of methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate (CID 138682758) is methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate?
The InChIKey is VSOINEKSRSZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)34-20-5-4-10-26-23(20)24(32)33-3/h4-5,10-14,16-17H,6-9H2,1-3H3,(H,25,27).
What are the key properties of methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate?
methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate has a molecular weight of 461.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridine-2-carboxylate is sourced from PubChem (CID 138682758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).