N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C23H28N8O — CID 138715160

IUPACN-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccnc2C)CC1
InChIInChI=1S/C23H28N8O/c1-4-24-21-11-20-19(13-27-21)22(16-12-28-30(3)14-16)29-31(20)17-5-7-18(8-6-17)32-23-15(2)25-9-10-26-23/h9-14,17-18H,4-8H2,1-3H3,(H,24,27)
InChIKeyWJFOCPRYSWSHSI-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.92
Rot. Bonds6

About N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715160) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715160
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC NameN-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccnc2C)CC1
InChIInChI=1S/C23H28N8O/c1-4-24-21-11-20-19(13-27-21)22(16-12-28-30(3)14-16)29-31(20)17-5-7-18(8-6-17)32-23-15(2)25-9-10-26-23/h9-14,17-18H,4-8H2,1-3H3,(H,24,27)
InChIKeyWJFOCPRYSWSHSI-UHFFFAOYSA-N
XLogP3.92
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715160) is N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccnc2C)CC1.
What is the InChIKey of N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is WJFOCPRYSWSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-4-24-21-11-20-19(13-27-21)22(16-12-28-30(3)14-16)29-31(20)17-5-7-18(8-6-17)32-23-15(2)25-9-10-26-23/h9-14,17-18H,4-8H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 432.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(3-methylpyrazin-2-yl)oxycyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).