4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C19H18N8O2 — CID 134435964

IUPAC4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC(N=[N+]=[N-])[C@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C19H18N8O2/c1-2-29-14-5-15(19-13(6-20)8-23-27(19)9-14)12-3-4-18(22-7-12)26-10-16(24-25-21)17(28)11-26/h3-5,7-9,16-17,28H,2,10-11H2,1H3/t16?,17-/m1/s1
InChIKeyKMAWPCZMQAXQTD-ZYMOGRSISA-N
MW390.41 g/mol
LogP2.53
Rot. Bonds5

About 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435964) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435964
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC(N=[N+]=[N-])[C@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C19H18N8O2/c1-2-29-14-5-15(19-13(6-20)8-23-27(19)9-14)12-3-4-18(22-7-12)26-10-16(24-25-21)17(28)11-26/h3-5,7-9,16-17,28H,2,10-11H2,1H3/t16?,17-/m1/s1
InChIKeyKMAWPCZMQAXQTD-ZYMOGRSISA-N
XLogP2.53
TPSA135.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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
[(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
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435413
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
4-[6-(3-amino-4-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435370

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435964) is 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC(N=[N+]=[N-])[C@H](O)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KMAWPCZMQAXQTD-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H18N8O2/c1-2-29-14-5-15(19-13(6-20)8-23-27(19)9-14)12-3-4-18(22-7-12)26-10-16(24-25-21)17(28)11-26/h3-5,7-9,16-17,28H,2,10-11H2,1H3/t16?,17-/m1/s1.
What are the key properties of 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 390.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).