[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate

C24H28N6O3 — CID 134435384

IUPAC[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCCOc1cc(-c2ccc(N3CCC(OC(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H28N6O3/c1-4-32-20-11-21(23-18(12-25)14-27-30(23)15-20)17-5-6-22(26-13-17)29-9-7-19(8-10-29)33-24(31)28-16(2)3/h5-6,11,13-16,19H,4,7-10H2,1-3H3,(H,28,31)
InChIKeyMNECAOCBJYKVRP-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.77
Rot. Bonds6

About [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate (PubChem CID 134435384) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
PubChem CID134435384
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
SMILESCCOc1cc(-c2ccc(N3CCC(OC(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H28N6O3/c1-4-32-20-11-21(23-18(12-25)14-27-30(23)15-20)17-5-6-22(26-13-17)29-9-7-19(8-10-29)33-24(31)28-16(2)3/h5-6,11,13-16,19H,4,7-10H2,1-3H3,(H,28,31)
InChIKeyMNECAOCBJYKVRP-UHFFFAOYSA-N
XLogP3.77
TPSA104.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
[(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-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
6-ethoxy-4-[6-[4-(4-phenylbut-3-ynoxy)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667089
[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 134496241
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate (CID 134435384) is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate is CCOc1cc(-c2ccc(N3CCC(OC(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate?
The InChIKey is MNECAOCBJYKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-4-32-20-11-21(23-18(12-25)14-27-30(23)15-20)17-5-6-22(26-13-17)29-9-7-19(8-10-29)33-24(31)28-16(2)3/h5-6,11,13-16,19H,4,7-10H2,1-3H3,(H,28,31).
What are the key properties of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate?
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate has a molecular weight of 448.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 134435384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).