2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile

C21H21F2N9 — CID 67458578

IUPAC2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(CF)CF)C4)c3)n2)cn1
InChIInChI=1S/C21H21F2N9/c1-29-11-15(9-26-29)18-6-19-25-4-5-31(19)20(28-18)16-10-27-32(12-16)21(2-3-24)13-30(14-21)17(7-22)8-23/h4-6,9-12,17H,2,7-8,13-14H2,1H3
InChIKeyBVXLHMZUEHXJBO-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.23
Rot. Bonds7

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

2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 67458578) has the molecular formula C21H21F2N9 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
PubChem CID67458578
Molecular FormulaC21H21F2N9
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILESCn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(CF)CF)C4)c3)n2)cn1
InChIInChI=1S/C21H21F2N9/c1-29-11-15(9-26-29)18-6-19-25-4-5-31(19)20(28-18)16-10-27-32(12-16)21(2-3-24)13-30(14-21)17(7-22)8-23/h4-6,9-12,17H,2,7-8,13-14H2,1H3
InChIKeyBVXLHMZUEHXJBO-UHFFFAOYSA-N
XLogP2.23
TPSA92.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
US10399985, Example 30
CID 118278101
US10399985, Example 20
CID 118278203
1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905148
2-[3-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 155804555
US10399985, Example 22
CID 118278115
US10399985, Example 16
CID 118278207
6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 9943969
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53261691
3-(Imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 53261748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile (CID 67458578) is 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is Cn1cc(-c2cc3nccn3c(-c3cnn(C4(CC#N)CN(C(CF)CF)C4)c3)n2)cn1.
What is the InChIKey of 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is BVXLHMZUEHXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N9/c1-29-11-15(9-26-29)18-6-19-25-4-5-31(19)20(28-18)16-10-27-32(12-16)21(2-3-24)13-30(14-21)17(7-22)8-23/h4-6,9-12,17H,2,7-8,13-14H2,1H3.
What are the key properties of 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile?
2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 437.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-difluoropropan-2-yl)-3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67458578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).