6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H26N6O2 — CID 146627105

IUPAC6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)cc1
InChIInChI=1S/C29H26N6O2/c1-3-20-5-7-21(8-6-20)29(36)34-13-11-24(12-14-34)33-27-10-9-22(17-31-27)26-15-25(37-4-2)19-35-28(26)23(16-30)18-32-35/h1,5-10,15,17-19,24H,4,11-14H2,2H3,(H,31,33)
InChIKeyVYCMJMKQCSSARM-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.36
Rot. Bonds6

About 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146627105) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146627105
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC#Cc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)cc1
InChIInChI=1S/C29H26N6O2/c1-3-20-5-7-21(8-6-20)29(36)34-13-11-24(12-14-34)33-27-10-9-22(17-31-27)26-15-25(37-4-2)19-35-28(26)23(16-30)18-32-35/h1,5-10,15,17-19,24H,4,11-14H2,2H3,(H,31,33)
InChIKeyVYCMJMKQCSSARM-UHFFFAOYSA-N
XLogP4.36
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152648631
6-ethoxy-4-[6-[4-(4-ethynyl-2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146626990
4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 164953361
N-[5-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-2-methyl-2-bicyclo[2.2.2]octanyl]prop-2-ynamide
CID 146667821
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
N-[6-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
CID 147142300
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-4-ethynylbenzamide
CID 146667149
4-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667206
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146627105) is 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#Cc1ccc(C(=O)N2CCC(Nc3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)cc1.
What is the InChIKey of 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VYCMJMKQCSSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-3-20-5-7-21(8-6-20)29(36)34-13-11-24(12-14-34)33-27-10-9-22(17-31-27)26-15-25(37-4-2)19-35-28(26)23(16-30)18-32-35/h1,5-10,15,17-19,24H,4,11-14H2,2H3,(H,31,33).
What are the key properties of 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 490.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146627105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).