2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C25H27N7O — CID 172836425

IUPAC2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCOc1ccc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(C)(C)C)C4)c3)n2)cc1
InChIInChI=1S/C25H27N7O/c1-24(2,3)30-16-25(17-30,9-10-26)32-15-19(14-28-32)23-29-21(13-22-27-11-12-31(22)23)18-5-7-20(33-4)8-6-18/h5-8,11-15H,9,16-17H2,1-4H3
InChIKeyWFBWAIYUMMLNAX-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.99
Rot. Bonds5

About 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 172836425) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID172836425
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCOc1ccc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(C)(C)C)C4)c3)n2)cc1
InChIInChI=1S/C25H27N7O/c1-24(2,3)30-16-25(17-30,9-10-26)32-15-19(14-28-32)23-29-21(13-22-27-11-12-31(22)23)18-5-7-20(33-4)8-6-18/h5-8,11-15H,9,16-17H2,1-4H3
InChIKeyWFBWAIYUMMLNAX-UHFFFAOYSA-N
XLogP3.99
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(cyanomethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87408447
2-[1-(2-fluoroethyl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 87407581
tert-butyl 3-(cyanomethyl)-3-[3-[7-(1-methyl-2-oxo-4-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 86685331
5-[1-[3-(2-fluoroethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 90336483
3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-3-pyridin-4-ylpropanenitrile
CID 67456894
2-methyl-3-[4-[7-(4-morpholin-4-ylphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]propanenitrile
CID 67458975
7-(2-methoxypyrimidin-5-yl)-5-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 141316619
5-(1-but-3-ynylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523168
2-[1-(2,2-difluoroethyl)-3-[4-[7-[1-imino-3-(oxetan-3-ylimino)propan-2-yl]imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 123540441
2-[1-ethylsulfonyl-3-[4-[7-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 170309533
2-[3-[4-[2-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(trifluoromethylsulfanyl)azetidin-3-yl]acetonitrile
CID 145177414
7-phenyl-5-(1H-pyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 141316624

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 172836425) is 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is COc1ccc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(C)(C)C)C4)c3)n2)cc1.
What is the InChIKey of 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is WFBWAIYUMMLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-24(2,3)30-16-25(17-30,9-10-26)32-15-19(14-28-32)23-29-21(13-22-27-11-12-31(22)23)18-5-7-20(33-4)8-6-18/h5-8,11-15H,9,16-17H2,1-4H3.
What are the key properties of 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 441.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-3-[4-[7-(4-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 172836425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).