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

C26H31N7O — CID 138715394

IUPAC1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1
InChIInChI=1S/C26H31N7O/c1-3-27-24-13-22-21(15-29-24)25(18-14-30-32(2)16-18)31-33(22)19-8-10-20(11-9-19)34-23-5-4-12-28-26(23)17-6-7-17/h4-5,12-17,19-20H,3,6-11H2,1-2H3,(H,27,29)
InChIKeyIIECVOZJTYCGAD-UHFFFAOYSA-N
MW457.58 g/mol
LogP5.10
Rot. Bonds7

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

1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715394) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715394
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1
InChIInChI=1S/C26H31N7O/c1-3-27-24-13-22-21(15-29-24)25(18-14-30-32(2)16-18)31-33(22)19-8-10-20(11-9-19)34-23-5-4-12-28-26(23)17-6-7-17/h4-5,12-17,19-20H,3,6-11H2,1-2H3,(H,27,29)
InChIKeyIIECVOZJTYCGAD-UHFFFAOYSA-N
XLogP5.10
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715394) is 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2C2CC2)CC1.
What is the InChIKey of 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is IIECVOZJTYCGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-3-27-24-13-22-21(15-29-24)25(18-14-30-32(2)16-18)31-33(22)19-8-10-20(11-9-19)34-23-5-4-12-28-26(23)17-6-7-17/h4-5,12-17,19-20H,3,6-11H2,1-2H3,(H,27,29).
What are the key properties of 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 457.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-cyclopropyl-3-pyridinyl)oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).