1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

C27H30ClN5O2 — CID 134435436

IUPAC1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Nc4ccccc4)CC3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C27H30ClN5O2/c1-27(2,34)18-35-22-14-23(26-24(28)16-30-33(26)17-22)19-8-9-25(29-15-19)32-12-10-21(11-13-32)31-20-6-4-3-5-7-20/h3-9,14-17,21,31,34H,10-13,18H2,1-2H3
InChIKeyQUHAMUIHVPNVTD-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.28
Rot. Bonds7

About 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (PubChem CID 134435436) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
PubChem CID134435436
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC Name1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Nc4ccccc4)CC3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C27H30ClN5O2/c1-27(2,34)18-35-22-14-23(26-24(28)16-30-33(26)17-22)19-8-9-25(29-15-19)32-12-10-21(11-13-32)31-20-6-4-3-5-7-20/h3-9,14-17,21,31,34H,10-13,18H2,1-2H3
InChIKeyQUHAMUIHVPNVTD-UHFFFAOYSA-N
XLogP5.28
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-chloro-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134436449
1-[3-chloro-4-[6-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134436432
6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435233
(3S)-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpyrrolidine-3-carboxamide
CID 134434668
4-[6-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435193
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 168856982
3-[5-[3-chloro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide;2,2,2-trifluoroacetic acid
CID 134496113
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
4-[6-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156571566
2-methyl-1-[3-[(methylideneamino)methyl]-4-[6-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 146667816
[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate
CID 175200669

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (CID 134435436) is 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is CC(C)(O)COc1cc(-c2ccc(N3CCC(Nc4ccccc4)CC3)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The InChIKey is QUHAMUIHVPNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-27(2,34)18-35-22-14-23(26-24(28)16-30-33(26)17-22)19-8-9-25(29-15-19)32-12-10-21(11-13-32)31-20-6-4-3-5-7-20/h3-9,14-17,21,31,34H,10-13,18H2,1-2H3.
What are the key properties of 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol has a molecular weight of 492.02 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-anilinopiperidin-1-yl)-3-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 134435436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).