6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H19N7O — CID 126753001

IUPAC6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)on1
InChIInChI=1S/C21H19N7O/c1-14-8-19(29-26-14)16-9-18(21-17(10-22)12-25-28(21)13-16)15-2-3-20(24-11-15)27-6-4-23-5-7-27/h2-3,8-9,11-13,23H,4-7H2,1H3
InChIKeyDEQBCMIMUXNKGY-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.64
Rot. Bonds3

About 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126753001) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126753001
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)on1
InChIInChI=1S/C21H19N7O/c1-14-8-19(29-26-14)16-9-18(21-17(10-22)12-25-28(21)13-16)15-2-3-20(24-11-15)27-6-4-23-5-7-27/h2-3,8-9,11-13,23H,4-7H2,1H3
InChIKeyDEQBCMIMUXNKGY-UHFFFAOYSA-N
XLogP2.64
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126753001) is 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cc(-c2cc(-c3ccc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)on1.
What is the InChIKey of 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DEQBCMIMUXNKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14-8-19(29-26-14)16-9-18(21-17(10-22)12-25-28(21)13-16)15-2-3-20(24-11-15)27-6-4-23-5-7-27/h2-3,8-9,11-13,23H,4-7H2,1H3.
What are the key properties of 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,2-oxazol-5-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126753001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).