N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid

C18H21F3N6O3 — CID 175743593

IUPACN,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(C)(Oc2nc(-c3cnn(C)c3)cc3nccn23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N6O.C2HF3O2/c1-16(7-12(8-16)17-2)23-15-20-13(11-9-19-21(3)10-11)6-14-18-4-5-22(14)15;3-2(4,5)1(6)7/h4-6,9-10,12,17H,7-8H2,1-3H3;(H,6,7)
InChIKeyVZOGDGIKYOJKGF-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.28
Rot. Bonds4

About N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid

N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 175743593) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID175743593
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC NameN,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CC(C)(Oc2nc(-c3cnn(C)c3)cc3nccn23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N6O.C2HF3O2/c1-16(7-12(8-16)17-2)23-15-20-13(11-9-19-21(3)10-11)6-14-18-4-5-22(14)15;3-2(4,5)1(6)7/h4-6,9-10,12,17H,7-8H2,1-3H3;(H,6,7)
InChIKeyVZOGDGIKYOJKGF-UHFFFAOYSA-N
XLogP2.28
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-3-amine;hydrochloride
CID 163302339
1-[(4S)-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 163301608
[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142559
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
5-[(4S)-1-ethenylsulfonylazepan-4-yl]oxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 163302220
2-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetic acid
CID 19616636
5-(1-but-3-ynylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidine
CID 71523168
2-[1-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]cycloheptyl]acetonitrile
CID 123763551
5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168885296
(2R,4S)-4-cyclopropyl-4-[3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrrol-1-yl]butan-2-ol
CID 90336488
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
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid (CID 175743593) is N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid is CNC1CC(C)(Oc2nc(-c3cnn(C)c3)cc3nccn23)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VZOGDGIKYOJKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C2HF3O2/c1-16(7-12(8-16)17-2)23-15-20-13(11-9-19-21(3)10-11)6-14-18-4-5-22(14)15;3-2(4,5)1(6)7/h4-6,9-10,12,17H,7-8H2,1-3H3;(H,6,7).
What are the key properties of N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid?
N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 426.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]oxycyclobutan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175743593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).