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

C23H26FN7O — CID 138715559

IUPACN-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1
InChIInChI=1S/C23H26FN7O/c1-3-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)32-20-5-4-10-26-23(20)24/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,25,27)
InChIKeyXTMXQIRMFKOLNA-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.36
Rot. Bonds6

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

N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715559) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715559
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC NameN-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1
InChIInChI=1S/C23H26FN7O/c1-3-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)32-20-5-4-10-26-23(20)24/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,25,27)
InChIKeyXTMXQIRMFKOLNA-UHFFFAOYSA-N
XLogP4.36
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715559) is N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is XTMXQIRMFKOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-3-25-21-11-19-18(13-27-21)22(15-12-28-30(2)14-15)29-31(19)16-6-8-17(9-7-16)32-20-5-4-10-26-23(20)24/h4-5,10-14,16-17H,3,6-9H2,1-2H3,(H,25,27).
What are the key properties of N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 435.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).