[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid

C20H20N6O3 — CID 134496884

IUPAC[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCC(NC(=O)O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H20N6O3/c1-2-29-16-7-17(19-14(8-21)10-23-26(19)12-16)13-3-4-18(22-9-13)25-6-5-15(11-25)24-20(27)28/h3-4,7,9-10,12,15,24H,2,5-6,11H2,1H3,(H,27,28)
InChIKeyARDOHTCPCVNAJU-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.51
Rot. Bonds5

About [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid

[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 134496884) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
PubChem CID134496884
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
SMILESCCOc1cc(-c2ccc(N3CCC(NC(=O)O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H20N6O3/c1-2-29-16-7-17(19-14(8-21)10-23-26(19)12-16)13-3-4-18(22-9-13)25-6-5-15(11-25)24-20(27)28/h3-4,7,9-10,12,15,24H,2,5-6,11H2,1H3,(H,27,28)
InChIKeyARDOHTCPCVNAJU-UHFFFAOYSA-N
XLogP2.51
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
[(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-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methylpiperidin-3-yl]prop-2-ynamide
CID 146667096
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134497288
[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
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]-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl] methanesulfonate
CID 134497000

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid (CID 134496884) is [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid is CCOc1cc(-c2ccc(N3CCC(NC(=O)O)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is ARDOHTCPCVNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-2-29-16-7-17(19-14(8-21)10-23-26(19)12-16)13-3-4-18(22-9-13)25-6-5-15(11-25)24-20(27)28/h3-4,7,9-10,12,15,24H,2,5-6,11H2,1H3,(H,27,28).
What are the key properties of [1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid?
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 392.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 134496884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).