[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid

C23H23N5O4 — CID 134496858

IUPAC[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCC(C=O)(NC(=O)O)CC3)cc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23N5O4/c1-2-32-19-11-20(21-17(12-24)13-25-28(21)14-19)16-3-5-18(6-4-16)27-9-7-23(15-29,8-10-27)26-22(30)31/h3-6,11,13-15,26H,2,7-10H2,1H3,(H,30,31)
InChIKeyYSHHOWMBGNLFOW-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.08
Rot. Bonds6

About [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid

[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid (PubChem CID 134496858) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
PubChem CID134496858
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCC(C=O)(NC(=O)O)CC3)cc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23N5O4/c1-2-32-19-11-20(21-17(12-24)13-25-28(21)14-19)16-3-5-18(6-4-16)27-9-7-23(15-29,8-10-27)26-22(30)31/h3-6,11,13-15,26H,2,7-10H2,1H3,(H,30,31)
InChIKeyYSHHOWMBGNLFOW-UHFFFAOYSA-N
XLogP3.08
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 142326985
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]piperidin-4-yl]carbamic acid
CID 134496978
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[(3S)-3-methylpiperazin-1-yl]methyl]piperidin-4-yl]carbamic acid
CID 134496730
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825
(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
CID 167661379
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147012489
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid (CID 134496858) is [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid is CCOc1cc(-c2ccc(N3CCC(C=O)(NC(=O)O)CC3)cc2)c2c(C#N)cnn2c1.
What is the InChIKey of [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid?
The InChIKey is YSHHOWMBGNLFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-2-32-19-11-20(21-17(12-24)13-25-28(21)14-19)16-3-5-18(6-4-16)27-9-7-23(15-29,8-10-27)26-22(30)31/h3-6,11,13-15,26H,2,7-10H2,1H3,(H,30,31).
What are the key properties of [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid?
[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid has a molecular weight of 433.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 134496858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).