3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C18H19N5 — CID 53357945

IUPAC3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCC(C)(C)CNc1cccc(-c2cnn3ccc(C#N)cc23)n1
InChIInChI=1S/C18H19N5/c1-18(2,3)12-20-17-6-4-5-15(22-17)14-11-21-23-8-7-13(10-19)9-16(14)23/h4-9,11H,12H2,1-3H3,(H,20,22)
InChIKeyAETPKEFAVVIEAN-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.73
Rot. Bonds3

About 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 53357945) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID53357945
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCC(C)(C)CNc1cccc(-c2cnn3ccc(C#N)cc23)n1
InChIInChI=1S/C18H19N5/c1-18(2,3)12-20-17-6-4-5-15(22-17)14-11-21-23-8-7-13(10-19)9-16(14)23/h4-9,11H,12H2,1-3H3,(H,20,22)
InChIKeyAETPKEFAVVIEAN-UHFFFAOYSA-N
XLogP3.73
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 53357945) is 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is CC(C)(C)CNc1cccc(-c2cnn3ccc(C#N)cc23)n1.
What is the InChIKey of 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is AETPKEFAVVIEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-18(2,3)12-20-17-6-4-5-15(22-17)14-11-21-23-8-7-13(10-19)9-16(14)23/h4-9,11H,12H2,1-3H3,(H,20,22).
What are the key properties of 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 305.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 53357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).