1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol

C29H34N4O3 — CID 175861828

IUPAC1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol
SMILESCc1cccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5nccc45)cn3)CC2)c1
InChIInChI=1S/C29H34N4O3/c1-21-5-4-6-22(15-21)17-29(35)10-13-32(14-11-29)27-8-7-23(18-30-27)25-16-24(36-20-28(2,3)34)19-33-26(25)9-12-31-33/h4-9,12,15-16,18-19,34-35H,10-11,13-14,17,20H2,1-3H3
InChIKeyMAOFGZGZWARCRC-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.43
Rot. Bonds7

About 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol

1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol (PubChem CID 175861828) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol
PubChem CID175861828
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol
SMILESCc1cccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5nccc45)cn3)CC2)c1
InChIInChI=1S/C29H34N4O3/c1-21-5-4-6-22(15-21)17-29(35)10-13-32(14-11-29)27-8-7-23(18-30-27)25-16-24(36-20-28(2,3)34)19-33-26(25)9-12-31-33/h4-9,12,15-16,18-19,34-35H,10-11,13-14,17,20H2,1-3H3
InChIKeyMAOFGZGZWARCRC-UHFFFAOYSA-N
XLogP4.43
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134434726
4-[6-[4-[fluoro(phenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435752
(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol
CID 172840092
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434729
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-methylpyridine-3-carboxamide
CID 134497232
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
CID 134436097
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
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-methylbenzamide
CID 134434610
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-methylpyrrolidin-3-yl]-2-phenylacetamide
CID 134496758
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-dimethylpyridine-4-carboxamide
CID 134496877

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol (CID 175861828) is 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol is Cc1cccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5nccc45)cn3)CC2)c1.
What is the InChIKey of 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is MAOFGZGZWARCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-21-5-4-6-22(15-21)17-29(35)10-13-32(14-11-29)27-8-7-23(18-30-27)25-16-24(36-20-28(2,3)34)19-33-26(25)9-12-31-33/h4-9,12,15-16,18-19,34-35H,10-11,13-14,17,20H2,1-3H3.
What are the key properties of 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol?
1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 486.62 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 175861828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).