4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide

C25H26N6O2 — CID 164953361

IUPAC4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCC(Cc2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H26N6O2/c1-3-9-27-25(32)30-10-7-18(8-11-30)12-21-6-5-19(15-28-21)23-13-22(33-4-2)17-31-24(23)20(14-26)16-29-31/h1,5-6,13,15-18H,4,7-12H2,2H3,(H,27,32)
InChIKeyAVHSUYNBDJVQOL-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.26
Rot. Bonds6

About 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide

4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide (PubChem CID 164953361) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide
PubChem CID164953361
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCC(Cc2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H26N6O2/c1-3-9-27-25(32)30-10-7-18(8-11-30)12-21-6-5-19(15-28-21)23-13-22(33-4-2)17-31-24(23)20(14-26)16-29-31/h1,5-6,13,15-18H,4,7-12H2,2H3,(H,27,32)
InChIKeyAVHSUYNBDJVQOL-UHFFFAOYSA-N
XLogP3.26
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
6-ethoxy-4-[6-[[1-(4-ethynylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146627105
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
4-[6-[[1-(4-ethenylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667787
3-chloro-N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 134497168
[(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
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
3-chloro-N-[2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
CID 146322566

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide (CID 164953361) is 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide is C#CCNC(=O)N1CCC(Cc2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide?
The InChIKey is AVHSUYNBDJVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-3-9-27-25(32)30-10-7-18(8-11-30)12-21-6-5-19(15-28-21)23-13-22(33-4-2)17-31-24(23)20(14-26)16-29-31/h1,5-6,13,15-18H,4,7-12H2,2H3,(H,27,32).
What are the key properties of 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide?
4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]methyl]-N-prop-2-ynylpiperidine-1-carboxamide is sourced from PubChem (CID 164953361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).