5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine

C20H19F3N6 — CID 71523363

IUPAC5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESCn1cc(-c2cc3nccn3c(-c3ccn([C@@H](CCF)[C@H]4CC4(F)F)c3)n2)cn1
InChIInChI=1S/C20H19F3N6/c1-27-11-14(10-25-27)16-8-18-24-5-7-29(18)19(26-16)13-3-6-28(12-13)17(2-4-21)15-9-20(15,22)23/h3,5-8,10-12,15,17H,2,4,9H2,1H3/t15-,17+/m1/s1
InChIKeyOLPMZMGHMAIABP-WBVHZDCISA-N
MW400.41 g/mol
LogP4.15
Rot. Bonds6

About 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine

5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine (PubChem CID 71523363) has the molecular formula C20H19F3N6 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
PubChem CID71523363
Molecular FormulaC20H19F3N6
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
SMILESCn1cc(-c2cc3nccn3c(-c3ccn([C@@H](CCF)[C@H]4CC4(F)F)c3)n2)cn1
InChIInChI=1S/C20H19F3N6/c1-27-11-14(10-25-27)16-8-18-24-5-7-29(18)19(26-16)13-3-6-28(12-13)17(2-4-21)15-9-20(15,22)23/h3,5-8,10-12,15,17H,2,4,9H2,1H3/t15-,17+/m1/s1
InChIKeyOLPMZMGHMAIABP-WBVHZDCISA-N
XLogP4.15
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 30
CID 118278101
3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278175
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine (CID 71523363) is 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine is Cn1cc(-c2cc3nccn3c(-c3ccn([C@@H](CCF)[C@H]4CC4(F)F)c3)n2)cn1.
What is the InChIKey of 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
The InChIKey is OLPMZMGHMAIABP-WBVHZDCISA-N. The full InChI is InChI=1S/C20H19F3N6/c1-27-11-14(10-25-27)16-8-18-24-5-7-29(18)19(26-16)13-3-6-28(12-13)17(2-4-21)15-9-20(15,22)23/h3,5-8,10-12,15,17H,2,4,9H2,1H3/t15-,17+/m1/s1.
What are the key properties of 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine?
5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine has a molecular weight of 400.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-1-[(1R)-2,2-difluorocyclopropyl]-3-fluoropropyl]pyrrol-3-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 71523363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).