5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile

C18H19N7 — CID 71199011

IUPAC5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
SMILESCN1CCCC(c2cc(N)n3ncc(-c4ccc(C#N)nc4)c3n2)C1
InChIInChI=1S/C18H19N7/c1-24-6-2-3-13(11-24)16-7-17(20)25-18(23-16)15(10-22-25)12-4-5-14(8-19)21-9-12/h4-5,7,9-10,13H,2-3,6,11,20H2,1H3
InChIKeyYPVVCQLDZUZOFK-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.05
Rot. Bonds2

About 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile

5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile (PubChem CID 71199011) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
PubChem CID71199011
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
SMILESCN1CCCC(c2cc(N)n3ncc(-c4ccc(C#N)nc4)c3n2)C1
InChIInChI=1S/C18H19N7/c1-24-6-2-3-13(11-24)16-7-17(20)25-18(23-16)15(10-22-25)12-4-5-14(8-19)21-9-12/h4-5,7,9-10,13H,2-3,6,11,20H2,1H3
InChIKeyYPVVCQLDZUZOFK-UHFFFAOYSA-N
XLogP2.05
TPSA96.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile (CID 71199011) is 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile is CN1CCCC(c2cc(N)n3ncc(-c4ccc(C#N)nc4)c3n2)C1.
What is the InChIKey of 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?
The InChIKey is YPVVCQLDZUZOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-24-6-2-3-13(11-24)16-7-17(20)25-18(23-16)15(10-22-25)12-4-5-14(8-19)21-9-12/h4-5,7,9-10,13H,2-3,6,11,20H2,1H3.
What are the key properties of 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile?
5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 71199011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).