3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol

C21H23ClN6O2 — CID 178130462

IUPAC3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol
SMILESCC(Oc1cc(-c2nn(C)c(CN(C)C)c2O)cn2ncc(Cl)c12)c1ccccn1
InChIInChI=1S/C21H23ClN6O2/c1-13(16-7-5-6-8-23-16)30-18-9-14(11-28-20(18)15(22)10-24-28)19-21(29)17(12-26(2)3)27(4)25-19/h5-11,13,29H,12H2,1-4H3
InChIKeySEQGXPXJQLEFND-UHFFFAOYSA-N
MW426.91 g/mol
LogP3.69
Rot. Bonds6

About 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol

3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol (PubChem CID 178130462) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol
PubChem CID178130462
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol
SMILESCC(Oc1cc(-c2nn(C)c(CN(C)C)c2O)cn2ncc(Cl)c12)c1ccccn1
InChIInChI=1S/C21H23ClN6O2/c1-13(16-7-5-6-8-23-16)30-18-9-14(11-28-20(18)15(22)10-24-28)19-21(29)17(12-26(2)3)27(4)25-19/h5-11,13,29H,12H2,1-4H3
InChIKeySEQGXPXJQLEFND-UHFFFAOYSA-N
XLogP3.69
TPSA80.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol?
The IUPAC name of 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol (CID 178130462) is 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol.
What is the SMILES notation for 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol?
The canonical SMILES for 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol is CC(Oc1cc(-c2nn(C)c(CN(C)C)c2O)cn2ncc(Cl)c12)c1ccccn1.
What is the InChIKey of 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol?
The InChIKey is SEQGXPXJQLEFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-13(16-7-5-6-8-23-16)30-18-9-14(11-28-20(18)15(22)10-24-28)19-21(29)17(12-26(2)3)27(4)25-19/h5-11,13,29H,12H2,1-4H3.
What are the key properties of 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol?
3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol has a molecular weight of 426.91 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-5-[(dimethylamino)methyl]-1-methylpyrazol-4-ol is sourced from PubChem (CID 178130462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).