2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile

C22H24N8 — CID 123763551

IUPAC2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCCCCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8/c1-28-15-17(13-25-28)19-12-20-24-10-11-29(20)21(27-19)18-14-26-30(16-18)22(8-9-23)6-4-2-3-5-7-22/h10-16H,2-8H2,1H3
InChIKeyIZZOUQYUBZNLFE-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.96
Rot. Bonds4

About 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile

2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile (PubChem CID 123763551) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
PubChem CID123763551
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCCCCC4)c3)n2)cn1
InChIInChI=1S/C22H24N8/c1-28-15-17(13-25-28)19-12-20-24-10-11-29(20)21(27-19)18-14-26-30(16-18)22(8-9-23)6-4-2-3-5-7-22/h10-16H,2-8H2,1H3
InChIKeyIZZOUQYUBZNLFE-UHFFFAOYSA-N
XLogP3.96
TPSA89.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile?
The IUPAC name of 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile (CID 123763551) is 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CCCCCC4)c3)n2)cn1.
What is the InChIKey of 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile?
The InChIKey is IZZOUQYUBZNLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-28-15-17(13-25-28)19-12-20-24-10-11-29(20)21(27-19)18-14-26-30(16-18)22(8-9-23)6-4-2-3-5-7-22/h10-16H,2-8H2,1H3.
What are the key properties of 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile?
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile is sourced from PubChem (CID 123763551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).