N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C27H31FN6O — CID 138682806

IUPACN-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCCC4CC4)ncc23)cn1
InChIInChI=1S/C27H31FN6O/c1-33-17-19(15-31-33)27-22-16-30-26(29-13-12-18-6-7-18)14-24(22)34(32-27)20-8-10-21(11-9-20)35-25-5-3-2-4-23(25)28/h2-5,14-18,20-21H,6-13H2,1H3,(H,29,30)
InChIKeyODXMRLSGGABXAR-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.75
Rot. Bonds8

About N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682806) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682806
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC NameN-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCCC4CC4)ncc23)cn1
InChIInChI=1S/C27H31FN6O/c1-33-17-19(15-31-33)27-22-16-30-26(29-13-12-18-6-7-18)14-24(22)34(32-27)20-8-10-21(11-9-20)35-25-5-3-2-4-23(25)28/h2-5,14-18,20-21H,6-13H2,1H3,(H,29,30)
InChIKeyODXMRLSGGABXAR-UHFFFAOYSA-N
XLogP5.75
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682806) is N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCCC4CC4)ncc23)cn1.
What is the InChIKey of N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is ODXMRLSGGABXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-33-17-19(15-31-33)27-22-16-30-26(29-13-12-18-6-7-18)14-24(22)34(32-27)20-8-10-21(11-9-20)35-25-5-3-2-4-23(25)28/h2-5,14-18,20-21H,6-13H2,1H3,(H,29,30).
What are the key properties of N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 474.58 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).