3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile

C21H17N9 — CID 67456894

IUPAC3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C(CC#N)c4ccncc4)c3)n2)cn1
InChIInChI=1S/C21H17N9/c1-28-13-16(11-25-28)18-10-20-24-8-9-29(20)21(27-18)17-12-26-30(14-17)19(2-5-22)15-3-6-23-7-4-15/h3-4,6-14,19H,2H2,1H3
InChIKeyOYSMCZSDTIWOJT-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.89
Rot. Bonds5

About 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile

3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile (PubChem CID 67456894) has the molecular formula C21H17N9 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
PubChem CID67456894
Molecular FormulaC21H17N9
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C(CC#N)c4ccncc4)c3)n2)cn1
InChIInChI=1S/C21H17N9/c1-28-13-16(11-25-28)18-10-20-24-8-9-29(20)21(27-18)17-12-26-30(14-17)19(2-5-22)15-3-6-23-7-4-15/h3-4,6-14,19H,2H2,1H3
InChIKeyOYSMCZSDTIWOJT-UHFFFAOYSA-N
XLogP2.89
TPSA102.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
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CID 66802145

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile?
The IUPAC name of 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile (CID 67456894) is 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile?
The canonical SMILES for 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C(CC#N)c4ccncc4)c3)n2)cn1.
What is the InChIKey of 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile?
The InChIKey is OYSMCZSDTIWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9/c1-28-13-16(11-25-28)18-10-20-24-8-9-29(20)21(27-18)17-12-26-30(14-17)19(2-5-22)15-3-6-23-7-4-15/h3-4,6-14,19H,2H2,1H3.
What are the key properties of 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile?
3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile has a molecular weight of 395.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 67456894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).